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87186-71-8 | N-(3-cyanophenyl)benzenesulfonamide
CAS No: 87186-71-8 Catalog No: AG019OY8 MDL No:MFCD01986022
Product Description
Catalog Number:
AG019OY8
Chemical Name:
N-(3-cyanophenyl)benzenesulfonamide
CAS Number:
87186-71-8
Molecular Formula:
C13H10N2O2S
Molecular Weight:
258.2957
MDL Number:
MFCD01986022
IUPAC Name:
N-(3-cyanophenyl)benzenesulfonamide
InChI:
InChI=1S/C13H10N2O2S/c14-10-11-5-4-6-12(9-11)15-18(16,17)13-7-2-1-3-8-13/h1-9,15H
InChI Key:
FHXOOBNHLNVYOF-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)NS(=O)(=O)c1ccccc1
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.046g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.295g/mol
Monoisotopic Mass:
258.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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