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305374-62-3 | N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)naphthalene-2-sulfonamide
CAS No: 305374-62-3 Catalog No: AG00IV7T MDL No:MFCD00245162
Product Description
Catalog Number:
AG00IV7T
Chemical Name:
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)naphthalene-2-sulfonamide
CAS Number:
305374-62-3
Molecular Formula:
C21H19N3O3S
Molecular Weight:
393.4589
MDL Number:
MFCD00245162
IUPAC Name:
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)naphthalene-2-sulfonamide
InChI:
InChI=1S/C21H19N3O3S/c1-15-20(21(25)24(23(15)2)18-10-4-3-5-11-18)22-28(26,27)19-13-12-16-8-6-7-9-17(16)14-19/h3-14,22H,1-2H3
InChI Key:
QNALXEWCIVAKEI-UHFFFAOYSA-N
SMILES:
Cc1n(C)n(c(=O)c1NS(=O)(=O)c1ccc2c(c1)cccc2)c1ccccc1
Properties
Complexity:
737
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.115g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
393.461g/mol
Monoisotopic Mass:
393.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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