1-(3-chlorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrazole-4-carboxamide

C23H19ClN4O3S — CID 60529641

IUPAC1-(3-chlorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrazole-4-carboxamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2)c1
InChIInChI=1S/C23H19ClN4O3S/c1-27(20-9-3-2-4-10-20)32(30,31)22-12-6-8-19(14-22)26-23(29)17-15-25-28(16-17)21-11-5-7-18(24)13-21/h2-16H,1H3,(H,26,29)
InChIKeySPVSGRBLAISXQV-UHFFFAOYSA-N
MW466.95 g/mol
LogP4.60
Rot. Bonds6

About 1-(3-chlorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrazole-4-carboxamide

1-(3-chlorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrazole-4-carboxamide (PubChem CID 60529641) has the molecular formula C23H19ClN4O3S and a molecular weight of 466.95 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrazole-4-carboxamide
PubChem CID60529641
Molecular FormulaC23H19ClN4O3S
Molecular Weight466.95 g/mol
Exact Mass466.09
IUPAC Name1-(3-chlorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrazole-4-carboxamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2)c1
InChIInChI=1S/C23H19ClN4O3S/c1-27(20-9-3-2-4-10-20)32(30,31)22-12-6-8-19(14-22)26-23(29)17-15-25-28(16-17)21-11-5-7-18(24)13-21/h2-16H,1H3,(H,26,29)
InChIKeySPVSGRBLAISXQV-UHFFFAOYSA-N
XLogP4.60
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.95
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[3-[methyl(phenyl)sulfamoyl]phenyl]-6-pyrazol-1-ylpyridine-3-carboxamide
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CID 35186261
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2H-benzotriazole-5-carboxamide
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5-bromo-2-chloro-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide
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N-(4-chloro-3-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide
CID 86806955
N-(4-chloro-2-fluorophenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2711755
2-(3-chlorophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide
CID 16546883
1-phenyl-N-(1-phenylpyrazol-4-yl)pyrazole-4-carboxamide
CID 171981866

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrazole-4-carboxamide (CID 60529641) is 1-(3-chlorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrazole-4-carboxamide is CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrazole-4-carboxamide?
The InChIKey is SPVSGRBLAISXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O3S/c1-27(20-9-3-2-4-10-20)32(30,31)22-12-6-8-19(14-22)26-23(29)17-15-25-28(16-17)21-11-5-7-18(24)13-21/h2-16H,1H3,(H,26,29).
What are the key properties of 1-(3-chlorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrazole-4-carboxamide?
1-(3-chlorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrazole-4-carboxamide has a molecular weight of 466.95 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 60529641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).