4-(3-oxopiperazin-1-yl)sulfonyl-N-(1-phenylpyrazol-3-yl)benzamide

C20H19N5O4S — CID 55596683

IUPAC4-(3-oxopiperazin-1-yl)sulfonyl-N-(1-phenylpyrazol-3-yl)benzamide
SMILESO=C1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccn(-c4ccccc4)n3)cc2)CCN1
InChIInChI=1S/C20H19N5O4S/c26-19-14-24(13-11-21-19)30(28,29)17-8-6-15(7-9-17)20(27)22-18-10-12-25(23-18)16-4-2-1-3-5-16/h1-10,12H,11,13-14H2,(H,21,26)(H,22,23,27)
InChIKeyRGRKZBAIMYVLTM-UHFFFAOYSA-N
MW425.47 g/mol
LogP1.25
Rot. Bonds5

About 4-(3-oxopiperazin-1-yl)sulfonyl-N-(1-phenylpyrazol-3-yl)benzamide

4-(3-oxopiperazin-1-yl)sulfonyl-N-(1-phenylpyrazol-3-yl)benzamide (PubChem CID 55596683) has the molecular formula C20H19N5O4S and a molecular weight of 425.47 g/mol. Its IUPAC name is 4-(3-oxopiperazin-1-yl)sulfonyl-N-(1-phenylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-(3-oxopiperazin-1-yl)sulfonyl-N-(1-phenylpyrazol-3-yl)benzamide
PubChem CID55596683
Molecular FormulaC20H19N5O4S
Molecular Weight425.47 g/mol
Exact Mass425.12
IUPAC Name4-(3-oxopiperazin-1-yl)sulfonyl-N-(1-phenylpyrazol-3-yl)benzamide
SMILESO=C1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccn(-c4ccccc4)n3)cc2)CCN1
InChIInChI=1S/C20H19N5O4S/c26-19-14-24(13-11-21-19)30(28,29)17-8-6-15(7-9-17)20(27)22-18-10-12-25(23-18)16-4-2-1-3-5-16/h1-10,12H,11,13-14H2,(H,21,26)(H,22,23,27)
InChIKeyRGRKZBAIMYVLTM-UHFFFAOYSA-N
XLogP1.25
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-anilinophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 31983039
N-(4-chlorophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 31856760
4-(3-oxopiperazin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide
CID 31883493
4-[(2-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide
CID 55536361
N-[4-(azepan-1-yl)phenyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 55596636
CID 154652808
CID 154652808
N-(1-phenylpyrazol-3-yl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 55547682
(2S)-3-methyl-2-[[4-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]butanoic acid
CID 119360362
4-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide
CID 55537155
4-[(2,3-dimethylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide
CID 55536362
4-fluoro-3-morpholin-4-ylsulfonyl-N-(1-phenylpyrazol-3-yl)benzamide
CID 55537140
1-(3-chlorophenyl)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]pyrazole-3-carboxamide
CID 55924131

Frequently Asked Questions

What is the IUPAC name of 4-(3-oxopiperazin-1-yl)sulfonyl-N-(1-phenylpyrazol-3-yl)benzamide?
The IUPAC name of 4-(3-oxopiperazin-1-yl)sulfonyl-N-(1-phenylpyrazol-3-yl)benzamide (CID 55596683) is 4-(3-oxopiperazin-1-yl)sulfonyl-N-(1-phenylpyrazol-3-yl)benzamide.
What is the SMILES notation for 4-(3-oxopiperazin-1-yl)sulfonyl-N-(1-phenylpyrazol-3-yl)benzamide?
The canonical SMILES for 4-(3-oxopiperazin-1-yl)sulfonyl-N-(1-phenylpyrazol-3-yl)benzamide is O=C1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccn(-c4ccccc4)n3)cc2)CCN1.
What is the InChIKey of 4-(3-oxopiperazin-1-yl)sulfonyl-N-(1-phenylpyrazol-3-yl)benzamide?
The InChIKey is RGRKZBAIMYVLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O4S/c26-19-14-24(13-11-21-19)30(28,29)17-8-6-15(7-9-17)20(27)22-18-10-12-25(23-18)16-4-2-1-3-5-16/h1-10,12H,11,13-14H2,(H,21,26)(H,22,23,27).
What are the key properties of 4-(3-oxopiperazin-1-yl)sulfonyl-N-(1-phenylpyrazol-3-yl)benzamide?
4-(3-oxopiperazin-1-yl)sulfonyl-N-(1-phenylpyrazol-3-yl)benzamide has a molecular weight of 425.47 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-oxopiperazin-1-yl)sulfonyl-N-(1-phenylpyrazol-3-yl)benzamide is sourced from PubChem (CID 55596683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).