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Home > Sulfanilamide > 917747-38-7
917747-38-7 | N-{4-[5-Mercapto-4-(tetrahydro-furan-2-ylmethyl)-4H-[1,2,4]triazol-3-yl]-phenyl}-benzenesulfonamide
CAS No: 917747-38-7 Catalog No: AG01F2QZ MDL No:
Product Description
Catalog Number:
AG01F2QZ
Chemical Name:
N-{4-[5-Mercapto-4-(tetrahydro-furan-2-ylmethyl)-4H-[1,2,4]triazol-3-yl]-phenyl}-benzenesulfonamide
CAS Number:
917747-38-7
Molecular Formula:
C19H20N4O3S2
Molecular Weight:
416.5171
IUPAC Name:
N-[4-[4-(oxolan-2-ylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]phenyl]benzenesulfonamide
InChI:
InChI=1S/C19H20N4O3S2/c24-28(25,17-6-2-1-3-7-17)22-15-10-8-14(9-11-15)18-20-21-19(27)23(18)13-16-5-4-12-26-16/h1-3,6-11,16,22H,4-5,12-13H2,(H,21,27)
InChI Key:
QYEZSKVNNCRMKL-UHFFFAOYSA-N
SMILES:
Sc1nnc(n1CC1CCCO1)c1ccc(cc1)NS(=O)(=O)c1ccccc1
Properties
Complexity:
693
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.098g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
416.514g/mol
Monoisotopic Mass:
416.098g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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