1-(benzenesulfonyl)-N-(3-chloro-4-piperidin-1-ylphenyl)piperidine-4-carboxamide

C23H28ClN3O3S — CID 55885014

IUPAC1-(benzenesulfonyl)-N-(3-chloro-4-piperidin-1-ylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)c(Cl)c1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C23H28ClN3O3S/c24-21-17-19(9-10-22(21)26-13-5-2-6-14-26)25-23(28)18-11-15-27(16-12-18)31(29,30)20-7-3-1-4-8-20/h1,3-4,7-10,17-18H,2,5-6,11-16H2,(H,25,28)
InChIKeyDCZJXMIFCLYZHW-UHFFFAOYSA-N
MW462.02 g/mol
LogP4.37
Rot. Bonds5

About 1-(benzenesulfonyl)-N-(3-chloro-4-piperidin-1-ylphenyl)piperidine-4-carboxamide

1-(benzenesulfonyl)-N-(3-chloro-4-piperidin-1-ylphenyl)piperidine-4-carboxamide (PubChem CID 55885014) has the molecular formula C23H28ClN3O3S and a molecular weight of 462.02 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(3-chloro-4-piperidin-1-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(3-chloro-4-piperidin-1-ylphenyl)piperidine-4-carboxamide
PubChem CID55885014
Molecular FormulaC23H28ClN3O3S
Molecular Weight462.02 g/mol
Exact Mass461.15
IUPAC Name1-(benzenesulfonyl)-N-(3-chloro-4-piperidin-1-ylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)c(Cl)c1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C23H28ClN3O3S/c24-21-17-19(9-10-22(21)26-13-5-2-6-14-26)25-23(28)18-11-15-27(16-12-18)31(29,30)20-7-3-1-4-8-20/h1,3-4,7-10,17-18H,2,5-6,11-16H2,(H,25,28)
InChIKeyDCZJXMIFCLYZHW-UHFFFAOYSA-N
XLogP4.37
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.02
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 1326765
1-(benzenesulfonyl)-N-(4-carbamoyl-3-chlorophenyl)piperidine-4-carboxamide
CID 39170705
1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
CID 1072838
1-(benzenesulfonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 24686797
1-(benzenesulfonyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-4-carboxamide
CID 42125952
N-(3,4-dichlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 24638766
1-(benzenesulfonyl)-N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]piperidine-4-carboxamide
CID 55800460
1-(benzenesulfonyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)piperidine-4-carboxamide
CID 26688012
4-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672164
1-(3,4-dichlorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 24511493
1-(benzenesulfonyl)-N-[3-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide
CID 39131296
1-(benzenesulfonyl)-N-[3-(dimethylamino)phenyl]piperidine-4-carboxamide
CID 4962927

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(3-chloro-4-piperidin-1-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(3-chloro-4-piperidin-1-ylphenyl)piperidine-4-carboxamide (CID 55885014) is 1-(benzenesulfonyl)-N-(3-chloro-4-piperidin-1-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(3-chloro-4-piperidin-1-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(3-chloro-4-piperidin-1-ylphenyl)piperidine-4-carboxamide is O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(3-chloro-4-piperidin-1-ylphenyl)piperidine-4-carboxamide?
The InChIKey is DCZJXMIFCLYZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O3S/c24-21-17-19(9-10-22(21)26-13-5-2-6-14-26)25-23(28)18-11-15-27(16-12-18)31(29,30)20-7-3-1-4-8-20/h1,3-4,7-10,17-18H,2,5-6,11-16H2,(H,25,28).
What are the key properties of 1-(benzenesulfonyl)-N-(3-chloro-4-piperidin-1-ylphenyl)piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-(3-chloro-4-piperidin-1-ylphenyl)piperidine-4-carboxamide has a molecular weight of 462.02 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(3-chloro-4-piperidin-1-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 55885014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).