N-(4-chlorophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide

C17H16ClN3O4S — CID 31856760

IUPACN-(4-chlorophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
SMILESO=C1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)CCN1
InChIInChI=1S/C17H16ClN3O4S/c18-13-3-5-14(6-4-13)20-17(23)12-1-7-15(8-2-12)26(24,25)21-10-9-19-16(22)11-21/h1-8H,9-11H2,(H,19,22)(H,20,23)
InChIKeyPXMOEYAIDISWPY-UHFFFAOYSA-N
MW393.85 g/mol
LogP1.71
Rot. Bonds4

About N-(4-chlorophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide

N-(4-chlorophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide (PubChem CID 31856760) has the molecular formula C17H16ClN3O4S and a molecular weight of 393.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
PubChem CID31856760
Molecular FormulaC17H16ClN3O4S
Molecular Weight393.85 g/mol
Exact Mass393.06
IUPAC NameN-(4-chlorophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
SMILESO=C1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)CCN1
InChIInChI=1S/C17H16ClN3O4S/c18-13-3-5-14(6-4-13)20-17(23)12-1-7-15(8-2-12)26(24,25)21-10-9-19-16(22)11-21/h1-8H,9-11H2,(H,19,22)(H,20,23)
InChIKeyPXMOEYAIDISWPY-UHFFFAOYSA-N
XLogP1.71
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.85
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-anilinophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 31983039
N-[4-(azepan-1-yl)phenyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 55596636
N-(2,3-dihydro-1H-inden-5-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 31898842
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 46468044
4-(3-oxopiperazin-1-yl)sulfonyl-N-(1-phenylpyrazol-3-yl)benzamide
CID 55596683
4-chloro-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzamide
CID 46467877
4-[4-(methylamino)phenyl]sulfonylpiperazin-2-one
CID 43154652
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
(2S)-3-methyl-2-[[4-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]butanoic acid
CID 119360362
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
4-chloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 51299854
N-(3-chloro-4-cyanophenyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 30785907

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(4-chlorophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide (CID 31856760) is N-(4-chlorophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide is O=C1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)CCN1.
What is the InChIKey of N-(4-chlorophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide?
The InChIKey is PXMOEYAIDISWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O4S/c18-13-3-5-14(6-4-13)20-17(23)12-1-7-15(8-2-12)26(24,25)21-10-9-19-16(22)11-21/h1-8H,9-11H2,(H,19,22)(H,20,23).
What are the key properties of N-(4-chlorophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide?
N-(4-chlorophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide has a molecular weight of 393.85 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 31856760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).