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64999-93-5 | Benzenesulfonamide, 4-cyano-N-methyl-N-phenyl-
CAS No: 64999-93-5 Catalog No: AG00H6OW MDL No:
Product Description
Catalog Number:
AG00H6OW
Chemical Name:
Benzenesulfonamide, 4-cyano-N-methyl-N-phenyl-
CAS Number:
64999-93-5
Molecular Formula:
C14H12N2O2S
Molecular Weight:
272.3223
IUPAC Name:
4-cyano-N-methyl-N-phenylbenzenesulfonamide
InChI:
InChI=1S/C14H12N2O2S/c1-16(13-5-3-2-4-6-13)19(17,18)14-9-7-12(11-15)8-10-14/h2-10H,1H3
InChI Key:
KHMREUJUZIAGAN-UHFFFAOYSA-N
SMILES:
CN(S(=O)(=O)c1ccc(cc1)C#N)c1ccccc1
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.062g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.322g/mol
Monoisotopic Mass:
272.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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