1-(benzenesulfonyl)-N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]piperidine-4-carboxamide

C24H31ClN4O3S — CID 30862286

IUPAC1-(benzenesulfonyl)-N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]piperidine-4-carboxamide
SMILESCCN1CCN(c2ccc(Cl)cc2NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1
InChIInChI=1S/C24H31ClN4O3S/c1-2-27-14-16-28(17-15-27)23-9-8-20(25)18-22(23)26-24(30)19-10-12-29(13-11-19)33(31,32)21-6-4-3-5-7-21/h3-9,18-19H,2,10-17H2,1H3,(H,26,30)
InChIKeyDXYSBKQNCQEAGD-UHFFFAOYSA-N
MW491.06 g/mol
LogP3.52
Rot. Bonds6

About 1-(benzenesulfonyl)-N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]piperidine-4-carboxamide

1-(benzenesulfonyl)-N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]piperidine-4-carboxamide (PubChem CID 30862286) has the molecular formula C24H31ClN4O3S and a molecular weight of 491.06 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]piperidine-4-carboxamide
PubChem CID30862286
Molecular FormulaC24H31ClN4O3S
Molecular Weight491.06 g/mol
Exact Mass490.18
IUPAC Name1-(benzenesulfonyl)-N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]piperidine-4-carboxamide
SMILESCCN1CCN(c2ccc(Cl)cc2NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1
InChIInChI=1S/C24H31ClN4O3S/c1-2-27-14-16-28(17-15-27)23-9-8-20(25)18-22(23)26-24(30)19-10-12-29(13-11-19)33(31,32)21-6-4-3-5-7-21/h3-9,18-19H,2,10-17H2,1H3,(H,26,30)
InChIKeyDXYSBKQNCQEAGD-UHFFFAOYSA-N
XLogP3.52
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.06
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]cyclohexanecarboxamide
CID 17422008
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide
CID 134008646
1-(benzenesulfonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 24686797
1-(benzenesulfonyl)-N-(3-chloro-4-piperidin-1-ylphenyl)piperidine-4-carboxamide
CID 55885014
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 24525568
1-(3-chloro-4-fluorophenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 39752606
1-(4-acetylphenyl)sulfonyl-N-(2,5-dichlorophenyl)piperidine-4-carboxamide
CID 26577801
1-(benzenesulfonyl)-N-[4-chloro-2-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 55811797
N-(5-chloro-2-piperidin-1-ylphenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide
CID 38705262
N-(5-chloro-2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1075516
1-(benzenesulfonyl)-N-[2-(butanoylamino)phenyl]piperidine-4-carboxamide
CID 6498124
N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1327118

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]piperidine-4-carboxamide (CID 30862286) is 1-(benzenesulfonyl)-N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]piperidine-4-carboxamide is CCN1CCN(c2ccc(Cl)cc2NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is DXYSBKQNCQEAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN4O3S/c1-2-27-14-16-28(17-15-27)23-9-8-20(25)18-22(23)26-24(30)19-10-12-29(13-11-19)33(31,32)21-6-4-3-5-7-21/h3-9,18-19H,2,10-17H2,1H3,(H,26,30).
What are the key properties of 1-(benzenesulfonyl)-N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 491.06 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 30862286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).