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Home Sulfos Benzenesulfonamide, 4-chloro-N,N-diethyl-3-nitro-

Benzenesulfonamide, 4-chloro-N,N-diethyl-3-nitro-

CAS No.:
127-53-7
Catalog Number:
AG000WIS
Molecular Formula:
C10H13ClN2O4S
Molecular Weight:
292.7392
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Product Description
Catalog Number:
AG000WIS
Chemical Name:
Benzenesulfonamide, 4-chloro-N,N-diethyl-3-nitro-
CAS Number:
127-53-7
Molecular Formula:
C10H13ClN2O4S
Molecular Weight:
292.7392
MDL Number:
MFCD00447239
IUPAC Name:
4-chloro-N,N-diethyl-3-nitrobenzenesulfonamide
InChI:
InChI=1S/C10H13ClN2O4S/c1-3-12(4-2)18(16,17)8-5-6-9(11)10(7-8)13(14)15/h5-7H,3-4H2,1-2H3
InChI Key:
PQUNWYHOMQGOAT-UHFFFAOYSA-N
SMILES:
CCN(S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])Cl)CC
Properties
Complexity:
386  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.028g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.734g/mol
Monoisotopic Mass:
292.028g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Nitrobenzene compounds inhibit expression of VCAM-1. Bioorganic & medicinal chemistry letters 20010723
Properties