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866011-02-1 | N-(5-{[(2-methylphenyl)methyl]sulfanyl}-1H-1,2,4-triazol-3-yl)benzenesulfonamide
CAS No: 866011-02-1 Catalog No: AG00IX5H MDL No:MFCD05670458
Product Description
Catalog Number:
AG00IX5H
Chemical Name:
N-(5-{[(2-methylphenyl)methyl]sulfanyl}-1H-1,2,4-triazol-3-yl)benzenesulfonamide
CAS Number:
866011-02-1
Molecular Formula:
C16H16N4O2S2
Molecular Weight:
360.4538
MDL Number:
MFCD05670458
IUPAC Name:
N-[3-[(2-methylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]benzenesulfonamide
InChI:
InChI=1S/C16H16N4O2S2/c1-12-7-5-6-8-13(12)11-23-16-17-15(18-19-16)20-24(21,22)14-9-3-2-4-10-14/h2-10H,11H2,1H3,(H2,17,18,19,20)
InChI Key:
SQEQUMCFJAHDQY-UHFFFAOYSA-N
SMILES:
Cc1ccccc1CSc1[nH]nc(n1)NS(=O)(=O)c1ccccc1
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.071g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
360.45g/mol
Monoisotopic Mass:
360.071g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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