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123126-59-0 | 1-benzothiophene-2-sulfonamide
CAS No: 123126-59-0 Catalog No: AG01AIOJ MDL No:MFCD18426041
Product Description
Catalog Number:
AG01AIOJ
Chemical Name:
1-benzothiophene-2-sulfonamide
CAS Number:
123126-59-0
Molecular Formula:
C8H7NO2S2
Molecular Weight:
213.2767
MDL Number:
MFCD18426041
IUPAC Name:
1-benzothiophene-2-sulfonamide
InChI:
InChI=1S/C8H7NO2S2/c9-13(10,11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H2,9,10,11)
InChI Key:
UZMQSZBTFGHLAH-UHFFFAOYSA-N
SMILES:
NS(=O)(=O)c1cc2c(s1)cccc2
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.992g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.269g/mol
Monoisotopic Mass:
212.992g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
96.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Structure-activity relationship of benzo[b]thiophene-2-sulfonamide derivatives as novel human chymase inhibitors. | Bioorganic & medicinal chemistry letters 20031117 |
| Identification of a stable chymase inhibitor using a pharmacophore-Based database search. | Bioorganic & medicinal chemistry letters 20030106 |
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