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Home > Sulfanilamide > 827308-31-6
827308-31-6 | Benzenesulfonamide, N-[cyano(3-methoxyphenyl)methyl]-4-methyl-
CAS No: 827308-31-6 Catalog No: AG004VS6 MDL No:
Product Description
Catalog Number:
AG004VS6
Chemical Name:
Benzenesulfonamide, N-[cyano(3-methoxyphenyl)methyl]-4-methyl-
CAS Number:
827308-31-6
Molecular Formula:
C16H16N2O3S
Molecular Weight:
316.3748
IUPAC Name:
N-[cyano-(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
InChI:
InChI=1S/C16H16N2O3S/c1-12-6-8-15(9-7-12)22(19,20)18-16(11-17)13-4-3-5-14(10-13)21-2/h3-10,16,18H,1-2H3
InChI Key:
ODCPCJJPZUAPNX-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C(NS(=O)(=O)c1ccc(cc1)C)C#N
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.088g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.375g/mol
Monoisotopic Mass:
316.088g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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