N-(4-benzyl-2-methyl-5-oxo-1-phenylpyrazol-3-yl)benzenesulfonamide

C23H21N3O3S — CID 24834707

IUPACN-(4-benzyl-2-methyl-5-oxo-1-phenylpyrazol-3-yl)benzenesulfonamide
SMILESCn1c(NS(=O)(=O)c2ccccc2)c(Cc2ccccc2)c(=O)n1-c1ccccc1
InChIInChI=1S/C23H21N3O3S/c1-25-22(24-30(28,29)20-15-9-4-10-16-20)21(17-18-11-5-2-6-12-18)23(27)26(25)19-13-7-3-8-14-19/h2-16,24H,17H2,1H3
InChIKeyROFWCXMGRPNUHA-UHFFFAOYSA-N
MW419.51 g/mol
LogP3.57
Rot. Bonds6

About N-(4-benzyl-2-methyl-5-oxo-1-phenylpyrazol-3-yl)benzenesulfonamide

N-(4-benzyl-2-methyl-5-oxo-1-phenylpyrazol-3-yl)benzenesulfonamide (PubChem CID 24834707) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-(4-benzyl-2-methyl-5-oxo-1-phenylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-benzyl-2-methyl-5-oxo-1-phenylpyrazol-3-yl)benzenesulfonamide
PubChem CID24834707
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC NameN-(4-benzyl-2-methyl-5-oxo-1-phenylpyrazol-3-yl)benzenesulfonamide
SMILESCn1c(NS(=O)(=O)c2ccccc2)c(Cc2ccccc2)c(=O)n1-c1ccccc1
InChIInChI=1S/C23H21N3O3S/c1-25-22(24-30(28,29)20-15-9-4-10-16-20)21(17-18-11-5-2-6-12-18)23(27)26(25)19-13-7-3-8-14-19/h2-16,24H,17H2,1H3
InChIKeyROFWCXMGRPNUHA-UHFFFAOYSA-N
XLogP3.57
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-4-(4-isopropyl-2,3-dimethyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)benzenesulfonamide
CID 1504737
N-[3-(dimethylsulfamoyl)phenyl]-2-(4-phenylphenyl)acetamide
CID 24671719
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[methyl(phenylsulfonyl)amino]benzamide
CID 1019170
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-[methyl(phenylsulfonyl)amino]benzamide
CID 1107853
N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226824
3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 2333805
3-[butyl(phenyl)sulfamoyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 4841977
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 2493193
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-methylbenzenesulfonamide
CID 1099011
3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 2336896
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2334696
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 2359681

Frequently Asked Questions

What is the IUPAC name of N-(4-benzyl-2-methyl-5-oxo-1-phenylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of N-(4-benzyl-2-methyl-5-oxo-1-phenylpyrazol-3-yl)benzenesulfonamide (CID 24834707) is N-(4-benzyl-2-methyl-5-oxo-1-phenylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-benzyl-2-methyl-5-oxo-1-phenylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for N-(4-benzyl-2-methyl-5-oxo-1-phenylpyrazol-3-yl)benzenesulfonamide is Cn1c(NS(=O)(=O)c2ccccc2)c(Cc2ccccc2)c(=O)n1-c1ccccc1.
What is the InChIKey of N-(4-benzyl-2-methyl-5-oxo-1-phenylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is ROFWCXMGRPNUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-25-22(24-30(28,29)20-15-9-4-10-16-20)21(17-18-11-5-2-6-12-18)23(27)26(25)19-13-7-3-8-14-19/h2-16,24H,17H2,1H3.
What are the key properties of N-(4-benzyl-2-methyl-5-oxo-1-phenylpyrazol-3-yl)benzenesulfonamide?
N-(4-benzyl-2-methyl-5-oxo-1-phenylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 419.51 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzyl-2-methyl-5-oxo-1-phenylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 24834707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).