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Home > Sulfanilamide > 895767-41-6
895767-41-6 | N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)butane-1-sulfonamide
CAS No: 895767-41-6 Catalog No: AG003S77 MDL No:MFCD01594036
Product Description
Catalog Number:
AG003S77
Chemical Name:
N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)butane-1-sulfonamide
CAS Number:
895767-41-6
Molecular Formula:
C15H21N3O3S
Molecular Weight:
323.4105
MDL Number:
MFCD01594036
IUPAC Name:
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butane-1-sulfonamide
InChI:
InChI=1S/C15H21N3O3S/c1-4-5-11-22(20,21)16-14-12(2)17(3)18(15(14)19)13-9-7-6-8-10-13/h6-10,16H,4-5,11H2,1-3H3
InChI Key:
JDBCADSLUHHFCR-UHFFFAOYSA-N
SMILES:
CCCCS(=O)(=O)Nc1c(C)n(n(c1=O)c1ccccc1)C
Properties
Complexity:
545
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.13g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.411g/mol
Monoisotopic Mass:
323.13g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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