Home Sulfos Glycine, N-[(4-chlorophenyl)sulfonyl]-N-(phenylmethyl)-

Glycine, N-[(4-chlorophenyl)sulfonyl]-N-(phenylmethyl)-

CAS No.:
276695-40-0
Catalog Number:
AG00I581
Molecular Formula:
C15H14ClNO4S
Molecular Weight:
339.7940
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Product Description
Catalog Number:
AG00I581
Chemical Name:
Glycine, N-[(4-chlorophenyl)sulfonyl]-N-(phenylmethyl)-
CAS Number:
276695-40-0
Molecular Formula:
C15H14ClNO4S
Molecular Weight:
339.7940
MDL Number:
MFCD01168173
IUPAC Name:
2-[benzyl-(4-chlorophenyl)sulfonylamino]acetic acid
InChI:
InChI=1S/C15H14ClNO4S/c16-13-6-8-14(9-7-13)22(20,21)17(11-15(18)19)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19)
InChI Key:
JPVGYZQZTZCLRZ-UHFFFAOYSA-N
SMILES:
OC(=O)CN(S(=O)(=O)c1ccc(cc1)Cl)Cc1ccccc1
Properties
Complexity:
462  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.033g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
339.79g/mol
Monoisotopic Mass:
339.033g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
Progresses in the pursuit of aldose reductase inhibitors: the structure-based lead optimization step. European journal of medicinal chemistry 20120501
Properties