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Home Sulfos 2-(4-chlorobenzenesulfonamido)propanoic acid

2-(4-chlorobenzenesulfonamido)propanoic acid

CAS No.:
90410-27-8
Catalog Number:
AG00IQ6F
Molecular Formula:
C9H10ClNO4S
Molecular Weight:
263.6980
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Product Description
Catalog Number:
AG00IQ6F
Chemical Name:
2-(4-chlorobenzenesulfonamido)propanoic acid
CAS Number:
90410-27-8
Molecular Formula:
C9H10ClNO4S
Molecular Weight:
263.6980
MDL Number:
MFCD00706949
IUPAC Name:
2-[(4-chlorophenyl)sulfonylamino]propanoic acid
InChI:
InChI=1S/C9H10ClNO4S/c1-6(9(12)13)11-16(14,15)8-4-2-7(10)3-5-8/h2-6,11H,1H3,(H,12,13)
InChI Key:
SGHZTBDKKOKWDI-UHFFFAOYSA-N
SMILES:
CC(C(=O)O)NS(=O)(=O)c1ccc(cc1)Cl
NSC Number:
627005
Properties
Complexity:
343  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.002g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
263.692g/mol
Monoisotopic Mass:
263.002g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties