3-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylpyrazol-4-yl)benzamide

C22H17ClN4O3S — CID 155513666

IUPAC3-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylpyrazol-4-yl)benzamide
SMILESO=C(Nc1cnn(-c2ccccc2)c1)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H17ClN4O3S/c23-17-9-11-21(12-10-17)31(29,30)26-18-6-4-5-16(13-18)22(28)25-19-14-24-27(15-19)20-7-2-1-3-8-20/h1-15,26H,(H,25,28)
InChIKeyOLFCQYWRYABVJP-UHFFFAOYSA-N
MW452.92 g/mol
LogP4.58
Rot. Bonds6

About 3-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylpyrazol-4-yl)benzamide

3-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylpyrazol-4-yl)benzamide (PubChem CID 155513666) has the molecular formula C22H17ClN4O3S and a molecular weight of 452.92 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylpyrazol-4-yl)benzamide
PubChem CID155513666
Molecular FormulaC22H17ClN4O3S
Molecular Weight452.92 g/mol
Exact Mass452.07
IUPAC Name3-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylpyrazol-4-yl)benzamide
SMILESO=C(Nc1cnn(-c2ccccc2)c1)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H17ClN4O3S/c23-17-9-11-21(12-10-17)31(29,30)26-18-6-4-5-16(13-18)22(28)25-19-14-24-27(15-19)20-7-2-1-3-8-20/h1-15,26H,(H,25,28)
InChIKeyOLFCQYWRYABVJP-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

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Related Compounds

n-(3-Chlorophenyl)-[1-(4-aminosulfonylphenyl)-5-(4-fluorophenyl)-1h-pyrazol-3-yl]carboxamide
CID 15485784
N'-(benzenesulfonyl)-3-pyrazol-1-ylbenzohydrazide
CID 135298591
N-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]benzamide
CID 2110824
(E)-3-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(4-sulfamoylphenyl)prop-2-enamide
CID 2471485
3-(4-Chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide
CID 57411993
2-[3-[4-[2-(3-chlorophenyl)ethynyl]phenyl]-1-phenylpyrazol-4-yl]-N-(4-chlorophenyl)sulfonylacetamide
CID 71451785
2-[3-[4-[2-(4-chlorophenyl)ethynyl]phenyl]-1-phenylpyrazol-4-yl]-N-(4-chlorophenyl)sulfonylacetamide
CID 71455333
N-(4-chlorophenyl)sulfonyl-2-[1-phenyl-3-[4-(2-phenylethynyl)phenyl]pyrazol-4-yl]acetamide
CID 71460772
3-(benzenesulfonamido)-N-[1-(4-methylphenyl)pyrazol-4-yl]benzamide
CID 148291912
3-[(4-chlorophenyl)sulfonylamino]-N-[1-(4-methylphenyl)pyrazol-4-yl]benzamide
CID 155528441
N-benzyl-N-[[1-[(2-chlorophenyl)methyl]triazol-4-yl]methyl]-4-(phenylsulfamoyl)benzamide
CID 168274750
4-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylpyrazol-4-yl)benzamide
CID 147117461

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylpyrazol-4-yl)benzamide?
The IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylpyrazol-4-yl)benzamide (CID 155513666) is 3-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylpyrazol-4-yl)benzamide.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylpyrazol-4-yl)benzamide?
The canonical SMILES for 3-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylpyrazol-4-yl)benzamide is O=C(Nc1cnn(-c2ccccc2)c1)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylpyrazol-4-yl)benzamide?
The InChIKey is OLFCQYWRYABVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O3S/c23-17-9-11-21(12-10-17)31(29,30)26-18-6-4-5-16(13-18)22(28)25-19-14-24-27(15-19)20-7-2-1-3-8-20/h1-15,26H,(H,25,28).
What are the key properties of 3-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylpyrazol-4-yl)benzamide?
3-[(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 3-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylpyrazol-4-yl)benzamide is sourced from PubChem (CID 155513666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).