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1021088-95-8 | N-[5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-4-phenoxybenzene-1-sulfonamide
CAS No: 1021088-95-8 Catalog No: AG00JWAU MDL No:MFCD11226343
Product Description
Catalog Number:
AG00JWAU
Chemical Name:
N-[5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-4-phenoxybenzene-1-sulfonamide
CAS Number:
1021088-95-8
Molecular Formula:
C15H14N4O3S2
Molecular Weight:
362.4267
MDL Number:
MFCD11226343
IUPAC Name:
N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-4-phenoxybenzenesulfonamide
InChI:
InChI=1S/C15H14N4O3S2/c1-23-15-16-14(17-18-15)19-24(20,21)13-9-7-12(8-10-13)22-11-5-3-2-4-6-11/h2-10H,1H3,(H2,16,17,18,19)
InChI Key:
LKOBQIWHLVHNFN-UHFFFAOYSA-N
SMILES:
CSc1nnc([nH]1)NS(=O)(=O)c1ccc(cc1)Oc1ccccc1
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.051g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
362.422g/mol
Monoisotopic Mass:
362.051g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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