Home Sulfos Benzoic acid, 4-chloro-2-[[(4-methylphenyl)sulfonyl]amino]-

Benzoic acid, 4-chloro-2-[[(4-methylphenyl)sulfonyl]amino]-

CAS No.:
31100-24-0
Catalog Number:
AG00324G
Molecular Formula:
C14H12ClNO4S
Molecular Weight:
325.7674
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Product Description
Catalog Number:
AG00324G
Chemical Name:
Benzoic acid, 4-chloro-2-[[(4-methylphenyl)sulfonyl]amino]-
CAS Number:
31100-24-0
Molecular Formula:
C14H12ClNO4S
Molecular Weight:
325.7674
MDL Number:
MFCD06218293
IUPAC Name:
4-chloro-2-[(4-methylphenyl)sulfonylamino]benzoic acid
InChI:
InChI=1S/C14H12ClNO4S/c1-9-2-5-11(6-3-9)21(19,20)16-13-8-10(15)4-7-12(13)14(17)18/h2-8,16H,1H3,(H,17,18)
InChI Key:
OUBOGOIHVZQFAD-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)Nc1cc(Cl)ccc1C(=O)O
Properties
Complexity:
468  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.018g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
325.763g/mol
Monoisotopic Mass:
325.018g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties