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 |
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: | 149Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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