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494189-46-7 | Benzenesulfonamide, 4-acetyl-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-
CAS No: 494189-46-7 Catalog No: AG0070NQ MDL No:
Product Description
Catalog Number:
AG0070NQ
Chemical Name:
Benzenesulfonamide, 4-acetyl-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-
CAS Number:
494189-46-7
Molecular Formula:
C18H17N3O3S
Molecular Weight:
355.4109
IUPAC Name:
4-acetyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide
InChI:
InChI=1S/C18H17N3O3S/c1-13-12-18(21(19-13)16-6-4-3-5-7-16)20-25(23,24)17-10-8-15(9-11-17)14(2)22/h3-12,20H,1-2H3
InChI Key:
KJKUQZFRFWVBFM-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1)NS(=O)(=O)c1ccc(cc1)C(=O)C)c1ccccc1
Properties
Complexity:
561
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.099g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
355.412g/mol
Monoisotopic Mass:
355.099g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
89.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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