N-[4-(benzoylsulfamoyl)phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide

C24H20N4O4S — CID 118947290

IUPACN-[4-(benzoylsulfamoyl)phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccccc2)cc1C(=O)Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C24H20N4O4S/c1-28-22(16-21(26-28)17-8-4-2-5-9-17)24(30)25-19-12-14-20(15-13-19)33(31,32)27-23(29)18-10-6-3-7-11-18/h2-16H,1H3,(H,25,30)(H,27,29)
InChIKeyJICYMVHHTHCRPO-UHFFFAOYSA-N
MW460.52 g/mol
LogP3.46
Rot. Bonds6

About N-[4-(benzoylsulfamoyl)phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide

N-[4-(benzoylsulfamoyl)phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide (PubChem CID 118947290) has the molecular formula C24H20N4O4S and a molecular weight of 460.52 g/mol. Its IUPAC name is N-[4-(benzoylsulfamoyl)phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(benzoylsulfamoyl)phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide
PubChem CID118947290
Molecular FormulaC24H20N4O4S
Molecular Weight460.52 g/mol
Exact Mass460.12
IUPAC NameN-[4-(benzoylsulfamoyl)phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccccc2)cc1C(=O)Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C24H20N4O4S/c1-28-22(16-21(26-28)17-8-4-2-5-9-17)24(30)25-19-12-14-20(15-13-19)33(31,32)27-23(29)18-10-6-3-7-11-18/h2-16H,1H3,(H,25,30)(H,27,29)
InChIKeyJICYMVHHTHCRPO-UHFFFAOYSA-N
XLogP3.46
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.52
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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2-acetyl-N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]benzamide
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N-[4-(4-methoxypiperidin-1-yl)phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide
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4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride
CID 66128613
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N-(4-acetylphenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(benzoylsulfamoyl)phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide?
The IUPAC name of N-[4-(benzoylsulfamoyl)phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide (CID 118947290) is N-[4-(benzoylsulfamoyl)phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide.
What is the SMILES notation for N-[4-(benzoylsulfamoyl)phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide?
The canonical SMILES for N-[4-(benzoylsulfamoyl)phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide is Cn1nc(-c2ccccc2)cc1C(=O)Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-(benzoylsulfamoyl)phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide?
The InChIKey is JICYMVHHTHCRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4S/c1-28-22(16-21(26-28)17-8-4-2-5-9-17)24(30)25-19-12-14-20(15-13-19)33(31,32)27-23(29)18-10-6-3-7-11-18/h2-16H,1H3,(H,25,30)(H,27,29).
What are the key properties of N-[4-(benzoylsulfamoyl)phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide?
N-[4-(benzoylsulfamoyl)phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide has a molecular weight of 460.52 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzoylsulfamoyl)phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 118947290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).