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Home > Nitro Compounds > 885420-44-0
885420-44-0 | Benzenesulfonamide, N-[1-(2,5-dimethylphenyl)ethyl]-4-nitro-
CAS No: 885420-44-0 Catalog No: AG004CR5 MDL No:
Product Description
Catalog Number:
AG004CR5
Chemical Name:
Benzenesulfonamide, N-[1-(2,5-dimethylphenyl)ethyl]-4-nitro-
CAS Number:
885420-44-0
Molecular Formula:
C16H18N2O4S
Molecular Weight:
334.3901
IUPAC Name:
N-[1-(2,5-dimethylphenyl)ethyl]-4-nitrobenzenesulfonamide
InChI:
InChI=1S/C16H18N2O4S/c1-11-4-5-12(2)16(10-11)13(3)17-23(21,22)15-8-6-14(7-9-15)18(19)20/h4-10,13,17H,1-3H3
InChI Key:
XLLHVUUWUYEYAH-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C(NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])C)C
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.099g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.39g/mol
Monoisotopic Mass:
334.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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