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1016493-25-6 | Benzenesulfonamide, N-butyl-3-cyano-
CAS No: 1016493-25-6 Catalog No: AG000517 MDL No:
Product Description
Catalog Number:
AG000517
Chemical Name:
Benzenesulfonamide, N-butyl-3-cyano-
CAS Number:
1016493-25-6
Molecular Formula:
C11H14N2O2S
Molecular Weight:
238.3061
IUPAC Name:
N-butyl-3-cyanobenzenesulfonamide
InChI:
InChI=1S/C11H14N2O2S/c1-2-3-7-13-16(14,15)11-6-4-5-10(8-11)9-12/h4-6,8,13H,2-3,7H2,1H3
InChI Key:
XARRNYQCHQJPMD-UHFFFAOYSA-N
SMILES:
CCCCNS(=O)(=O)c1cccc(c1)C#N
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.078g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.305g/mol
Monoisotopic Mass:
238.078g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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