Name: Name:3-([(4-Methylphenyl)sulfonyl]amino)benzoic acid
Brand: Angene
SKU: AG007CCG
Rating: 90 (10 reviews)

3-([(4-Methylphenyl)sulfonyl]amino)benzoic acid

CAS No.:

37028-84-5

Catalog Number:

AG007CCG

Molecular Formula:

C14H12NO4S-

Molecular Weight:

290.3144

Pack Size

Purity

Availability

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Price(USD)

Quantity

95%

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United States

$155

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Product Description

Catalog Number:

AG007CCG

Chemical Name:

3-([(4-Methylphenyl)sulfonyl]amino)benzoic acid

CAS Number:

37028-84-5

Molecular Formula:

C14H12NO4S-

Molecular Weight:

290.3144

MDL Number:

MFCD00245717

IUPAC Name:

3-[(4-methylphenyl)sulfonylamino]benzoic acid

InChI:

InChI=1S/C14H13NO4S/c1-10-5-7-13(8-6-10)20(18,19)15-12-4-2-3-11(9-12)14(16)17/h2-9,15H,1H3,(H,16,17)

InChI Key:

FEPILVGKCQHGLG-UHFFFAOYSA-N

SMILES:

Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(=O)[O-]

NSC Number:

143118

Properties

Complexity:

435

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

291.057g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

291.321g/mol

Monoisotopic Mass:

291.057g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3

Literature

Title	Journal
Selective inhibitors of aldo-keto reductases AKR1C1 and AKR1C3 discovered by virtual screening of a fragment library.	Journal of medicinal chemistry 20120913

Properties