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Home > Sulfanilamide > 94158-19-7
94158-19-7 | N-BUTYL-3-(CYANOACETYL)-N-PHENYLBENZENESULFONAMIDE
CAS No: 94158-19-7 Catalog No: AG006Q99 MDL No:
Product Description
Catalog Number:
AG006Q99
Chemical Name:
N-BUTYL-3-(CYANOACETYL)-N-PHENYLBENZENESULFONAMIDE
CAS Number:
94158-19-7
Molecular Formula:
C19H20N2O3S
Molecular Weight:
356.4387
IUPAC Name:
N-butyl-3-(2-cyanoacetyl)-N-phenylbenzenesulfonamide
InChI:
InChI=1S/C19H20N2O3S/c1-2-3-14-21(17-9-5-4-6-10-17)25(23,24)18-11-7-8-16(15-18)19(22)12-13-20/h4-11,15H,2-3,12,14H2,1H3
InChI Key:
MAPSJZHIZMKNOG-UHFFFAOYSA-N
SMILES:
CCCCN(S(=O)(=O)c1cccc(c1)C(=O)CC#N)c1ccccc1
EC Number:
303-090-2
Properties
Complexity:
582
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.119g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.44g/mol
Monoisotopic Mass:
356.119g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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