4-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylpyrazol-4-yl)benzamide

C22H17ClN4O3S — CID 147117461

IUPAC4-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylpyrazol-4-yl)benzamide
SMILESO=C(Nc1cnn(-c2ccccc2)c1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H17ClN4O3S/c23-17-8-12-21(13-9-17)31(29,30)26-18-10-6-16(7-11-18)22(28)25-19-14-24-27(15-19)20-4-2-1-3-5-20/h1-15,26H,(H,25,28)
InChIKeyBNRXKRYANROJON-UHFFFAOYSA-N
MW452.92 g/mol
LogP4.58
Rot. Bonds6

About 4-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylpyrazol-4-yl)benzamide

4-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylpyrazol-4-yl)benzamide (PubChem CID 147117461) has the molecular formula C22H17ClN4O3S and a molecular weight of 452.92 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylpyrazol-4-yl)benzamide
PubChem CID147117461
Molecular FormulaC22H17ClN4O3S
Molecular Weight452.92 g/mol
Exact Mass452.07
IUPAC Name4-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylpyrazol-4-yl)benzamide
SMILESO=C(Nc1cnn(-c2ccccc2)c1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H17ClN4O3S/c23-17-8-12-21(13-9-17)31(29,30)26-18-10-6-16(7-11-18)22(28)25-19-14-24-27(15-19)20-4-2-1-3-5-20/h1-15,26H,(H,25,28)
InChIKeyBNRXKRYANROJON-UHFFFAOYSA-N
XLogP4.58
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.92
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylpyrazol-4-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylpyrazol-4-yl)benzamide?
The IUPAC name of 4-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylpyrazol-4-yl)benzamide (CID 147117461) is 4-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylpyrazol-4-yl)benzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylpyrazol-4-yl)benzamide?
The canonical SMILES for 4-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylpyrazol-4-yl)benzamide is O=C(Nc1cnn(-c2ccccc2)c1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylpyrazol-4-yl)benzamide?
The InChIKey is BNRXKRYANROJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O3S/c23-17-8-12-21(13-9-17)31(29,30)26-18-10-6-16(7-11-18)22(28)25-19-14-24-27(15-19)20-4-2-1-3-5-20/h1-15,26H,(H,25,28).
What are the key properties of 4-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylpyrazol-4-yl)benzamide?
4-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylpyrazol-4-yl)benzamide has a molecular weight of 452.92 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylpyrazol-4-yl)benzamide is sourced from PubChem (CID 147117461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).