4-chloro-N-(cyclopentylmethyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide

C19H27ClN2O3S — CID 55612530

IUPAC4-chloro-N-(cyclopentylmethyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCCN(S(=O)(=O)c2cc(C(=O)NCC3CCCC3)ccc2Cl)C1
InChIInChI=1S/C19H27ClN2O3S/c1-14-5-4-10-22(13-14)26(24,25)18-11-16(8-9-17(18)20)19(23)21-12-15-6-2-3-7-15/h8-9,11,14-15H,2-7,10,12-13H2,1H3,(H,21,23)
InChIKeyJGTAQPHJAMIXQZ-UHFFFAOYSA-N
MW398.96 g/mol
LogP3.68
Rot. Bonds5

About 4-chloro-N-(cyclopentylmethyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide

4-chloro-N-(cyclopentylmethyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 55612530) has the molecular formula C19H27ClN2O3S and a molecular weight of 398.96 g/mol. Its IUPAC name is 4-chloro-N-(cyclopentylmethyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(cyclopentylmethyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID55612530
Molecular FormulaC19H27ClN2O3S
Molecular Weight398.96 g/mol
Exact Mass398.14
IUPAC Name4-chloro-N-(cyclopentylmethyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCCN(S(=O)(=O)c2cc(C(=O)NCC3CCCC3)ccc2Cl)C1
InChIInChI=1S/C19H27ClN2O3S/c1-14-5-4-10-22(13-14)26(24,25)18-11-16(8-9-17(18)20)19(23)21-12-15-6-2-3-7-15/h8-9,11,14-15H,2-7,10,12-13H2,1H3,(H,21,23)
InChIKeyJGTAQPHJAMIXQZ-UHFFFAOYSA-N
XLogP3.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.96
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-(cyclopentylmethyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(azepan-1-ylsulfonyl)-4-chloro-N-(cyclopentylmethyl)benzamide
CID 39212135
4-chloro-N-(2-methylbutan-2-yl)-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 40820715
4-chloro-3-(3-methylpiperidin-1-yl)sulfonyl-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 55953958
4-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 71878902
[1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoate
CID 46810950
4-chloro-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 51889196
4-chloro-N-(2,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 26359533
4-chloro-N-(2,3-dimethylphenyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 42992443
[2-(tert-butylamino)-2-oxoethyl] 4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoate
CID 16504066
4-chloro-3-(3-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 60518959
[2-(tert-butylamino)-2-oxoethyl] 4-chloro-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoate
CID 2609330
4-chloro-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 8839720

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(cyclopentylmethyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of 4-chloro-N-(cyclopentylmethyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide (CID 55612530) is 4-chloro-N-(cyclopentylmethyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-(cyclopentylmethyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for 4-chloro-N-(cyclopentylmethyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide is CC1CCCN(S(=O)(=O)c2cc(C(=O)NCC3CCCC3)ccc2Cl)C1.
What is the InChIKey of 4-chloro-N-(cyclopentylmethyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is JGTAQPHJAMIXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O3S/c1-14-5-4-10-22(13-14)26(24,25)18-11-16(8-9-17(18)20)19(23)21-12-15-6-2-3-7-15/h8-9,11,14-15H,2-7,10,12-13H2,1H3,(H,21,23).
What are the key properties of 4-chloro-N-(cyclopentylmethyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide?
4-chloro-N-(cyclopentylmethyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 398.96 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(cyclopentylmethyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 55612530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).