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Also known as: 82212-14-4, 2-chloro-5-(1h-tetrazol-5-yl)sulphanilamide, 4-amino-2-chloro-5-(1h-tetrazol-5-yl)benzenesulfonamide, 4-amino-2-chloro-5-(2h-tetrazol-5-yl)benzenesulfonamide, Einecs 279-922-2, Benzenesulfonamide, 4-amino-2-chloro-5-(1h-tetrazol-5-yl)-

Molecular Formula

C₇H₇ClN₆O₂S

Molecular Weight

274.69 g/mol

InChI Key

OKHJHVJXPHYALI-UHFFFAOYSA-N

1 2D Structure

CAS 82212-14-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-amino-2-chloro-5-(2H-tetrazol-5-yl)benzenesulfonamide

2.1.2 InChI

InChI=1S/C7H7ClN6O2S/c8-4-2-5(9)3(7-11-13-14-12-7)1-6(4)17(10,15)16/h1-2H,9H2,(H2,10,15,16)(H,11,12,13,14)

2.1.3 InChI Key

OKHJHVJXPHYALI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=C(C(=CC(=C1S(=O)(=O)N)Cl)N)C2=NNN=N2

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 82212-14-4

2. 2-chloro-5-(1h-tetrazol-5-yl)sulphanilamide

3. 4-amino-2-chloro-5-(1h-tetrazol-5-yl)benzenesulfonamide

4. 4-amino-2-chloro-5-(2h-tetrazol-5-yl)benzenesulfonamide

5. Einecs 279-922-2

6. Benzenesulfonamide, 4-amino-2-chloro-5-(1h-tetrazol-5-yl)-

7. Chembl1797008

8. Schembl11136729

9. Amy7378

10. Okhjhvjxphyali-uhfffaoysa-n

11. Dtxsid701002561

12. Mfcd11870108

13. Akos028109125

14. Cs-0187055

15. Ns00059236

16. D81031

17. 5-(2-amino-4-chloro-5-sulfamoylphenyl)-tetrazole

18. En300-18752189

19. 4-amino-2-chloro-5-(2h-tetrazol-5-yl)benzene-1-sulfonamide

20. 4-amino-2-chloro-5-(1h-1,2,3,4-tetrazol-5-yl)benzene-1-sulfonamide

21. 4-amino-2-chloro-5-(2h-1,2,3,4-tetrazol-5-yl)benzenesulfonamide

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₇H₇ClN₆O₂S
Molecular Weight	274.69 g/mol
XLogP3	-0.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	149
Heavy Atom Count	17
Formal Charge	0
Complexity	373
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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