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137-47-3,MFCD00088651
Catalog No.:AA0012LF
137-47-3 | Benzenesulfonamide, 4-chloro-N,N-dimethyl-3-nitro-
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Technical Information
Catalog Number:
AA0012LF
Chemical Name:
Benzenesulfonamide, 4-chloro-N,N-dimethyl-3-nitro-
CAS Number:
137-47-3
Molecular Formula:
C8H9ClN2O4S
Molecular Weight:
264.6861
MDL Number:
MFCD00088651
IUPAC Name:
4-chloro-N,N-dimethyl-3-nitrobenzenesulfonamide
InChI:
InChI=1S/C8H9ClN2O4S/c1-10(2)16(14,15)6-3-4-7(9)8(5-6)11(12)13/h3-5H,1-2H3
InChI Key:
HBTAOSGHCXUEKI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)N(C)C
EC Number:
205-295-1
NSC Number:
231629
Properties
Computed Properties
 
Complexity:
359  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.997g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.68g/mol
Monoisotopic Mass:
263.997g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

Synonyms
 
137-47-3 
4-chloro-N,N-dimethyl-3-nitrobenzenesulfonamide 
NSC231629 
NSC 231629 
AC1Q5ANF 
Benzenesulfonamide,4-chloro-N,N-dimethyl-3-nitro- 
AC1Q3X17 
SCHEMBL6215796 
DTXSID4059671 
CTK8F5855 
HBTAOSGHCXUEKI-UHFFFAOYSA-N 
AC1L2798 
4-Chloro-N,N-dimethyl-3-nitro-benzenesulfonamide 
ZINC3885322 
BDBM50101960 
MFCD00088651 
AKOS000507343 
Benzenesulfonamide,N-dimethyl-3-nitro- 
MCULE-4191002942 
NE35071 
NSC-231629 
AJ-47178 
BAS 00758049 
Benzenesulfonamide, 4-chloro-N,N-dimethyl-3-nitro- 
FT-0689523 
EN300-02055 
C8H9ClN2O4S 
C8-H9-Cl-N2-O4-S 
CID67300 
AR-1G1663 
13896-97-4 
4-Chloro-3-nitro-N,N-dimethylbenzenesulfonamide 
4-chloro-N,N-dimethyl-3-nitrobenzene-1-sulfonamide 
CHEMBL52795 
4-Chloro-N,N-dimethyl-3-nitrobenzenesulphonamide 
2-NITROCHLOROBENZENE-4-(N,N-DIMETHYL)-SULPHONAMIDE 
EINECS 205-295-1 
Literature

Title: Nitrobenzene compounds inhibit expression of VCAM-1.

Journal: Bioorganic & medicinal chemistry letters 20010723

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