4-Amino-6-chloro-N3-methyl-1,3-benzenedisulfonamide - CAS 13659-98-8

Catalog:	BB061445
Product Name:	4-Amino-6-chloro-N3-methyl-1,3-benzenedisulfonamide
CAS:	13659-98-8
Synonyms:	4-Amino-6-chloro-N3-methyl-1,3-benzenedisulfonamide; Methyclothiazide related compound A; 4-amino-6-chloro-3-N-methylbenzene-1,3-disulfonamide; 1,3-Benzenedisulfonamide, 4-amino-6-chloro-N3-methyl-; USP methyclothiazide related compound A RS; 4-Amino-2-chloro-5(methylsulfamyl)benzenesulfonamide

Technical Data

IUPAC Name:	4-amino-6-chloro-3-N-methylbenzene-1,3-disulfonamide
Molecular Weight:	299.75
Molecular Formula:	C7H10ClN3O4S2
Canonical SMILES:	CNS(=O)(=O)C1=CC(=C(C=C1N)Cl)S(=O)(=O)N
InChI:	InChI=1S/C7H10ClN3O4S2/c1-11-17(14,15)7-3-6(16(10,12)13)4(8)2-5(7)9/h2-3,11H,9H2,1H3,(H2,10,12,13)
InChI Key:	HZLMCYKKQJTLER-UHFFFAOYSA-N

Complexity:	466
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	298.9801258
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	298.9801258
Rotatable Bond Count:	3
Topological Polar Surface Area:	149Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0