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4392-43-2 | N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)benzenesulfonamide
CAS No: 4392-43-2 Catalog No: AG00J06E MDL No:MFCD00682833
Product Description
Catalog Number:
AG00J06E
Chemical Name:
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)benzenesulfonamide
CAS Number:
4392-43-2
Molecular Formula:
C17H17N3O3S
Molecular Weight:
343.4002
MDL Number:
MFCD00682833
IUPAC Name:
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzenesulfonamide
InChI:
InChI=1S/C17H17N3O3S/c1-13-16(18-24(22,23)15-11-7-4-8-12-15)17(21)20(19(13)2)14-9-5-3-6-10-14/h3-12,18H,1-2H3
InChI Key:
ZALSBQYBTHVLCI-UHFFFAOYSA-N
SMILES:
Cc1n(C)n(c(=O)c1NS(=O)(=O)c1ccccc1)c1ccccc1
Properties
Complexity:
612
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.099g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
343.401g/mol
Monoisotopic Mass:
343.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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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