Name: Name:Benzoic acid, 3-[(2,3-dihydro-1H-indol-1-yl)sulfonyl]-
Brand: Angene
SKU: AG00I68J
Rating: 90 (10 reviews)

Benzoic acid, 3-[(2,3-dihydro-1H-indol-1-yl)sulfonyl]-

CAS No.:

327092-69-3

Catalog Number:

AG00I68J

Molecular Formula:

C15H13NO4S

Molecular Weight:

303.3330

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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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

303.057g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

303.332g/mol

Monoisotopic Mass:

303.057g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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