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Home > Nitro Compounds > 1114824-00-8
1114824-00-8 | N-(benzenesulfonyl)-N-(3-nitrophenyl)benzenesulfonamide
CAS No: 1114824-00-8 Catalog No: AG019UB2 MDL No:MFCD11857791
Product Description
Catalog Number:
AG019UB2
Chemical Name:
N-(benzenesulfonyl)-N-(3-nitrophenyl)benzenesulfonamide
CAS Number:
1114824-00-8
Molecular Formula:
C18H14N2O6S2
Molecular Weight:
418.4436
MDL Number:
MFCD11857791
IUPAC Name:
N-(benzenesulfonyl)-N-(3-nitrophenyl)benzenesulfonamide
InChI:
InChI=1S/C18H14N2O6S2/c21-19(22)15-8-7-9-16(14-15)20(27(23,24)17-10-3-1-4-11-17)28(25,26)18-12-5-2-6-13-18/h1-14H
InChI Key:
NMGQXPDVUQENLO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)N(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
Properties
Complexity:
690
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.029g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
418.438g/mol
Monoisotopic Mass:
418.029g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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