CAS 1694-06-0

Also known as: 1694-06-0, N-carbamoyl-4-methylbenzenesulfonamide, 4-toluenesulfonylurea, 4-tolylsulfonylurea, P-toluenesulfonylurea, (4-methylphenyl)sulfonylurea

Molecular Formula

C₈H₁₀N₂O₃S

Molecular Weight

214.24 g/mol

InChI Key

RUTYWCZSEBLPAK-UHFFFAOYSA-N

FDA UNII

Q9W3K7K5XB

1 2D Structure

CAS 1694-06-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(4-methylphenyl)sulfonylurea

2.1.2 InChI

InChI=1S/C8H10N2O3S/c1-6-2-4-7(5-3-6)14(12,13)10-8(9)11/h2-5H,1H3,(H3,9,10,11)

2.1.3 InChI Key

RUTYWCZSEBLPAK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N

2.2 Other Identifiers

2.2.1 UNII

Q9W3K7K5XB

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4-tolylsulfonylurea

2. P-tolylsulfonylurea

2.3.2 Depositor-Supplied Synonyms

1. 1694-06-0

2. N-carbamoyl-4-methylbenzenesulfonamide

3. 4-toluenesulfonylurea

4. 4-tolylsulfonylurea

5. P-toluenesulfonylurea

6. (4-methylphenyl)sulfonylurea

7. Q9w3k7k5xb

8. Benzenesulfonamide, N-(aminocarbonyl)-4-methyl-

9. Mfcd00196522

10. P-tolylsulfonylurea

11. N-(aminocarbonyl)-4-methylbenzenesulphonamide

12. Einecs 216-900-3

13. P-toluenesulphonylurea

14. N-(p-tolylsulfonyl)urea

15. Toluenesulfonylurea

16. P-toluolsulfonyl-harnstoff

17. N-(p-toluenesulfonyl)urea

18. Ec-000.1456

19. Unii-q9w3k7k5xb

20. Oprea1_528210

21. (4-methylbenzenesulfonyl)urea

22. Schembl170426

23. Dtxsid90168704

24. 4-toluenesulfonylurea, Aldrichcpr

25. Zinc1081457

26. Akos003624899

27. Cs-w014932

28. Ds-1957

29. Fs-3527

30. Pb29041

31. Toluenesulfonylurea [ep Impurity]

32. 1-((4-methylphenyl)sulfonyl)urea

33. Sy052679

34. Db-043788

35. Am20030131

36. Ft-0633778

37. T2890

38. Tolbutamide Impurity B [ep Impurity]

39. 694t060

40. A811098

41. J-010537

42. J-523530

43. [(aminocarbonyl)amino](4-methylphenyl)dioxo-lambda~6~-sulfane

44. 4,7,7-trimethylnorbornan-2-ol;n-carbamoyl-4-methylbenzenesulfonamide

2.4 Create Date

2005-07-10

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₀N₂O₃S
Molecular Weight	214.24 g/mol
XLogP3	0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	214.04121336 g/mol
Monoisotopic Mass	214.04121336 g/mol
Topological Polar Surface Area	97.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	299
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Kimia Biosciences, established in 1993, is focused on manufacturing bulk drugs for various therapeutic se...

Kimia Biosciences, established in 1993, is focused on manufacturing bulk drugs for various therapeutic segments. With a strong emphasis on excellence and advanced technologies, Kimia aims to become a globally recognized company in both APIs and FDFs while upholding clean business practices. Kimia's state-of-the-art facilities at Village Bhondsi, Gurugram enable it to produce a wide range of APIs. Kimia also plans to establish its own facilities for lifestyle segments, adhering to international regulatory standards. Kimia aims to provide the best pharmaceutical products and support to consumers and healthcare professionals.

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LUNA Chemicals Co.,Ltd. markets and manufactures world-class quality Active Pharmaceutical Ingredients an...

LUNA Chemicals Co.,Ltd. markets and manufactures world-class quality Active Pharmaceutical Ingredients and intermediate chemicals for generic pharmaceutical companies. Our Development Team focus strategically on the core therapeutic areas: cardiovascular, anti-depressant, allergic, healthcare and plant extraction. We provide technical support and efficient regulatory documentation for manufacturers, intellectual property(IP) was always carefully considered as well. We also provide excellent outsourcing services to customers and laboratory support.

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Nantong Chem-land Co., Ltd. is located in Nantong city, a developed port city which distance from Shangha...

Nantong Chem-land Co., Ltd. is located in Nantong city, a developed port city which distance from Shanghai is only 1.5 hours by car. Established in 2006, we have developed quickly into a comprehensive entity engaged in and marketing, developing and manufacturing of Active Pharmaceutical Ingredients, intermediates and fine chemicals.Our collaboration production site is in the national chemical park in our city: Nantong Rudong Yangkou Chemical park. Available test instrument in the production site: IR, UV, HPLC, GC, etc.. Production equipment: More than 50 reactors, size from 1L to 3000L , reaction temperature from -10℃ to +300℃.

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