1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,3-dimethylpyrazole-4-sulfonamide

2.1.2 InChI

InChI=1S/C5H9N3O2S/c1-4-5(11(6,9)10)3-8(2)7-4/h3H,1-2H3,(H2,6,9,10)

2.1.3 InChI Key

FQQRVLUHFKWHRT-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 88398-53-2

2. Refchem:72704

3. 826-619-3

4. 1h-pyrazole-4-sulfonamide, 1,3-dimethyl-

5. 1,3-dimethylpyrazole-4-sulfonamide

6. Mfcd06120837

7. 1h-pyrazole-4-sulfonamide,1,3-dimethyl-(9ci)

8. Schembl4760209

9. Fqqrvluhfkwhrt-uhfffaoysa-n

10. Dtxsid701283822

11. Akos003859048

12. Pb47888

13. As-53793

14. Sy099182

15. Db-268027

16. Cs-0052735

17. En300-213970

18. P17125

19. F070700

20. Z1216816888

2.3 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₅H₉N₃O₂S
Molecular Weight	175.21 g/mol
XLogP3	-0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	86.4
Heavy Atom Count	11
Formal Charge	0
Complexity	233
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

CAS 88398-53-2