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Also known as: 85952-29-0, N-methyl-4-nitrotoluenesulphonamide, N-methyl-4-nitrobenzenemethanesulfonamide, Mfcd00277775, N-methyl-4-nitrobenzenemethanesulphonamide, N-methyl-(4-nitrophenyl)methanesulfonamide
Molecular Formula
C8H10N2O4S
Molecular Weight
230.24  g/mol
InChI Key
KZWPBAASZYQWIV-UHFFFAOYSA-N

CAS 85952-29-0
1 2D Structure

CAS 85952-29-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-methyl-1-(4-nitrophenyl)methanesulfonamide
2.1.2 InChI
InChI=1S/C8H10N2O4S/c1-9-15(13,14)6-7-2-4-8(5-3-7)10(11)12/h2-5,9H,6H2,1H3
2.1.3 InChI Key
KZWPBAASZYQWIV-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CNS(=O)(=O)CC1=CC=C(C=C1)[N+](=O)[O-]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 85952-29-0

2. N-methyl-4-nitrotoluenesulphonamide

3. N-methyl-4-nitrobenzenemethanesulfonamide

4. Mfcd00277775

5. N-methyl-4-nitrobenzenemethanesulphonamide

6. N-methyl-(4-nitrophenyl)methanesulfonamide

7. Maybridge1_006642

8. Oprea1_403711

9. Schembl3001018

10. Hms560f20

11. Zinc86328

12. Dtxsid10351555

13. Ccg-47497

14. Akos009232330

15. As-7011

16. Cs-w012959

17. Ac-11071

18. N-methyl-4-nitro-alpha-toluenesulfonamide

19. Sy262157

20. {4-nitrophenyl}-n-methylmethanesulfonamide

21. Ft-0642018

22. N-methyl-4-nitro- Alpha -toluenesulfonamide

23. F30190

24. 952m290

25. A841503

26. Ar-011/42531535

27. Sr-01000637105-1

2.3 Create Date
2005-07-07
3 Chemical and Physical Properties
Molecular Weight 230.24 g/mol
Molecular Formula C8H10N2O4S
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area100
Heavy Atom Count15
Formal Charge0
Complexity309
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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SUPPLIERS

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  • WHO-GMP

Virtual BoothZeon Pharma is a manufacturer and supplier of APIs & Intermediates.

N-Methyl-4-nitro benzene methane sulfonamide

CAS Number : 85952-29-0

End Use API :

About the Company : Zeon Pharma Industries India Pvt ltd is an ISO & GMP certified manufacturer of Bulk drugs & Intermediate and also supplies our associate manufacturing plant API / Semi finish formulati...

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END USE APIs

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