1-(3-chlorophenyl)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]pyrazole-3-carboxamide

C20H18ClN5O4S — CID 55924131

IUPAC1-(3-chlorophenyl)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]pyrazole-3-carboxamide
SMILESO=C1CN(S(=O)(=O)c2cccc(NC(=O)c3ccn(-c4cccc(Cl)c4)n3)c2)CCN1
InChIInChI=1S/C20H18ClN5O4S/c21-14-3-1-5-16(11-14)26-9-7-18(24-26)20(28)23-15-4-2-6-17(12-15)31(29,30)25-10-8-22-19(27)13-25/h1-7,9,11-12H,8,10,13H2,(H,22,27)(H,23,28)
InChIKeyGNQBGXGNIIFHLR-UHFFFAOYSA-N
MW459.92 g/mol
LogP1.90
Rot. Bonds5

About 1-(3-chlorophenyl)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]pyrazole-3-carboxamide

1-(3-chlorophenyl)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]pyrazole-3-carboxamide (PubChem CID 55924131) has the molecular formula C20H18ClN5O4S and a molecular weight of 459.92 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]pyrazole-3-carboxamide
PubChem CID55924131
Molecular FormulaC20H18ClN5O4S
Molecular Weight459.92 g/mol
Exact Mass459.08
IUPAC Name1-(3-chlorophenyl)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]pyrazole-3-carboxamide
SMILESO=C1CN(S(=O)(=O)c2cccc(NC(=O)c3ccn(-c4cccc(Cl)c4)n3)c2)CCN1
InChIInChI=1S/C20H18ClN5O4S/c21-14-3-1-5-16(11-14)26-9-7-18(24-26)20(28)23-15-4-2-6-17(12-15)31(29,30)25-10-8-22-19(27)13-25/h1-7,9,11-12H,8,10,13H2,(H,22,27)(H,23,28)
InChIKeyGNQBGXGNIIFHLR-UHFFFAOYSA-N
XLogP1.90
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.92
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-amino-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]propanamide
CID 119283963
1-phenyl-N-(3-sulfamoylphenyl)pyrazole-3-carboxamide
CID 38764020
5-chloro-2-methoxy-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-4-(tetrazol-1-yl)benzamide
CID 55777597
2-oxo-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-6-phenyl-1H-pyridine-3-carboxamide
CID 55762233
2-(2-methoxyethylamino)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]acetamide;hydrochloride
CID 119713498
4-(3-oxopiperazin-1-yl)sulfonyl-N-(1-phenylpyrazol-3-yl)benzamide
CID 55596683
N-(3-chloro-4-cyanophenyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 30785907
(2S)-2-amino-3,3-dimethyl-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]butanamide
CID 119713483
N-(5-chloro-2-methylphenyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 46604362
5-methyl-1-(3-nitrophenyl)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]triazole-4-carboxamide
CID 55762611
7-amino-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]heptanamide;hydrochloride
CID 119713468
N-(4-chlorophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 31856760

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]pyrazole-3-carboxamide (CID 55924131) is 1-(3-chlorophenyl)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]pyrazole-3-carboxamide is O=C1CN(S(=O)(=O)c2cccc(NC(=O)c3ccn(-c4cccc(Cl)c4)n3)c2)CCN1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]pyrazole-3-carboxamide?
The InChIKey is GNQBGXGNIIFHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O4S/c21-14-3-1-5-16(11-14)26-9-7-18(24-26)20(28)23-15-4-2-6-17(12-15)31(29,30)25-10-8-22-19(27)13-25/h1-7,9,11-12H,8,10,13H2,(H,22,27)(H,23,28).
What are the key properties of 1-(3-chlorophenyl)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]pyrazole-3-carboxamide?
1-(3-chlorophenyl)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]pyrazole-3-carboxamide has a molecular weight of 459.92 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 55924131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).