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19837-81-1 | Benzenesulfonamide, 4-amino-N-(3-chlorophenyl)-
CAS No: 19837-81-1 Catalog No: AG002BH6 MDL No:MFCD03147576
Product Description
Catalog Number:
AG002BH6
Chemical Name:
Benzenesulfonamide, 4-amino-N-(3-chlorophenyl)-
CAS Number:
19837-81-1
Molecular Formula:
C12H11ClN2O2S
Molecular Weight:
282.7459
MDL Number:
MFCD03147576
IUPAC Name:
4-amino-N-(3-chlorophenyl)benzenesulfonamide
InChI:
InChI=1S/C12H11ClN2O2S/c13-9-2-1-3-11(8-9)15-18(16,17)12-6-4-10(14)5-7-12/h1-8,15H,14H2
InChI Key:
ZVOMLEQGMOLOEM-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)Cl
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.023g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
282.742g/mol
Monoisotopic Mass:
282.023g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Analgesic agents without gastric damage: design and synthesis of structurally simple benzenesulfonanilide-type cyclooxygenase-1-selective inhibitors. | Bioorganic & medicinal chemistry 20070115 |
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