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Home > Indoles and Oxindole > 327092-69-3
327092-69-3 | Benzoic acid, 3-[(2,3-dihydro-1H-indol-1-yl)sulfonyl]-
CAS No: 327092-69-3 Catalog No: AG00I68J MDL No:MFCD02708219
Product Description
Catalog Number:
AG00I68J
Chemical Name:
Benzoic acid, 3-[(2,3-dihydro-1H-indol-1-yl)sulfonyl]-
CAS Number:
327092-69-3
Molecular Formula:
C15H13NO4S
Molecular Weight:
303.3330
MDL Number:
MFCD02708219
IUPAC Name:
3-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid
InChI:
InChI=1S/C15H13NO4S/c17-15(18)12-5-3-6-13(10-12)21(19,20)16-9-8-11-4-1-2-7-14(11)16/h1-7,10H,8-9H2,(H,17,18)
InChI Key:
VLBSLQVQWAJURT-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2c1cccc2
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.057g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.332g/mol
Monoisotopic Mass:
303.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| 3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic Acids: highly potent and selective inhibitors of the type 5 17-β-hydroxysteroid dehydrogenase AKR1C3. | Journal of medicinal chemistry 20120913 |
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