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Home > Sulfanilamide > 827308-25-8
827308-25-8 | Benzenesulfonamide, N-[cyano(3,4-dimethylphenyl)methyl]-4-methyl-
CAS No: 827308-25-8 Catalog No: AG005029 MDL No:
Product Description
Catalog Number:
AG005029
Chemical Name:
Benzenesulfonamide, N-[cyano(3,4-dimethylphenyl)methyl]-4-methyl-
CAS Number:
827308-25-8
Molecular Formula:
C17H18N2O2S
Molecular Weight:
314.4020
IUPAC Name:
N-[cyano-(3,4-dimethylphenyl)methyl]-4-methylbenzenesulfonamide
InChI:
InChI=1S/C17H18N2O2S/c1-12-4-8-16(9-5-12)22(20,21)19-17(11-18)15-7-6-13(2)14(3)10-15/h4-10,17,19H,1-3H3
InChI Key:
SSUHDKJRDJKRKQ-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(c(c1)C)C)NS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.109g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.403g/mol
Monoisotopic Mass:
314.109g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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