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748776-60-5 | N-(2-chlorophenyl)-3-(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)benzene-1-sulfonamide
CAS No: 748776-60-5 Catalog No: AG019HHY MDL No:MFCD03653068
Product Description
Catalog Number:
AG019HHY
Chemical Name:
N-(2-chlorophenyl)-3-(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)benzene-1-sulfonamide
CAS Number:
748776-60-5
Molecular Formula:
C20H15ClN4O2S2
Molecular Weight:
442.9417
MDL Number:
MFCD03653068
IUPAC Name:
N-(2-chlorophenyl)-3-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)benzenesulfonamide
InChI:
InChI=1S/C20H15ClN4O2S2/c21-17-11-4-5-12-18(17)24-29(26,27)16-10-6-7-14(13-16)19-22-23-20(28)25(19)15-8-2-1-3-9-15/h1-13,24H,(H,23,28)
InChI Key:
ZTBKVJKTNYEBCF-UHFFFAOYSA-N
SMILES:
Clc1ccccc1NS(=O)(=O)c1cccc(c1)c1nnc(n1c1ccccc1)S
Properties
Complexity:
733
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.032g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
442.936g/mol
Monoisotopic Mass:
442.032g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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