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Home > Sulfanilamide > 917747-39-8
917747-39-8 | N-[4-(5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-phenyl]-benzenesulfonamide
CAS No: 917747-39-8 Catalog No: AG01F4BA MDL No:
Product Description
Catalog Number:
AG01F4BA
Chemical Name:
N-[4-(5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-phenyl]-benzenesulfonamide
CAS Number:
917747-39-8
Molecular Formula:
C15H14N4O2S2
Molecular Weight:
346.4273
IUPAC Name:
N-[4-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
InChI:
InChI=1S/C15H14N4O2S2/c1-19-14(16-17-15(19)22)11-7-9-12(10-8-11)18-23(20,21)13-5-3-2-4-6-13/h2-10,18H,1H3,(H,17,22)
InChI Key:
NPWXFKLGRWPXJY-UHFFFAOYSA-N
SMILES:
Cn1c(S)nnc1c1ccc(cc1)NS(=O)(=O)c1ccccc1
Properties
Complexity:
571
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.056g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
346.423g/mol
Monoisotopic Mass:
346.056g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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