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1004035-01-1 | Benzenesulfonamide, 3-cyano-N-(4-methoxyphenyl)-
CAS No: 1004035-01-1 Catalog No: AG0001X5 MDL No:
Product Description
Catalog Number:
AG0001X5
Chemical Name:
Benzenesulfonamide, 3-cyano-N-(4-methoxyphenyl)-
CAS Number:
1004035-01-1
Molecular Formula:
C14H12N2O3S
Molecular Weight:
288.3217
IUPAC Name:
3-cyano-N-(4-methoxyphenyl)benzenesulfonamide
InChI:
InChI=1S/C14H12N2O3S/c1-19-13-7-5-12(6-8-13)16-20(17,18)14-4-2-3-11(9-14)10-15/h2-9,16H,1H3
InChI Key:
VROMLSUAPCRQDK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NS(=O)(=O)c1cccc(c1)C#N
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.057g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.321g/mol
Monoisotopic Mass:
288.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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