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178693-27-1 | Benzoic acid, 4-[[(phenylsulfonyl)amino]methyl]-
CAS No: 178693-27-1 Catalog No: AG00268R MDL No:MFCD01250125
Product Description
Catalog Number:
AG00268R
Chemical Name:
Benzoic acid, 4-[[(phenylsulfonyl)amino]methyl]-
CAS Number:
178693-27-1
Molecular Formula:
C14H13NO4S
Molecular Weight:
291.3223
MDL Number:
MFCD01250125
IUPAC Name:
4-(benzenesulfonamidomethyl)benzoic acid
InChI:
InChI=1S/C14H13NO4S/c16-14(17)12-8-6-11(7-9-12)10-15-20(18,19)13-4-2-1-3-5-13/h1-9,15H,10H2,(H,16,17)
InChI Key:
CHOGMPPUSGFJEB-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)CNS(=O)(=O)c1ccccc1
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.057g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
291.321g/mol
Monoisotopic Mass:
291.057g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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