1-(4-chlorophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide

C21H31ClN2O4S — CID 42936696

IUPAC1-(4-chlorophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide
SMILESO=C(NCCCOC1CCCCC1)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C21H31ClN2O4S/c22-18-9-11-20(12-10-18)29(26,27)24-14-4-6-17(16-24)21(25)23-13-5-15-28-19-7-2-1-3-8-19/h9-12,17,19H,1-8,13-16H2,(H,23,25)
InChIKeyNGRUIEYCOUDHKN-UHFFFAOYSA-N
MW443.01 g/mol
LogP3.60
Rot. Bonds8

About 1-(4-chlorophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide

1-(4-chlorophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide (PubChem CID 42936696) has the molecular formula C21H31ClN2O4S and a molecular weight of 443.01 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide
PubChem CID42936696
Molecular FormulaC21H31ClN2O4S
Molecular Weight443.01 g/mol
Exact Mass442.17
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide
SMILESO=C(NCCCOC1CCCCC1)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C21H31ClN2O4S/c22-18-9-11-20(12-10-18)29(26,27)24-14-4-6-17(16-24)21(25)23-13-5-15-28-19-7-2-1-3-8-19/h9-12,17,19H,1-8,13-16H2,(H,23,25)
InChIKeyNGRUIEYCOUDHKN-UHFFFAOYSA-N
XLogP3.60
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.01
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-(4-chlorophenyl)sulfonyl-N-(3-cyclopentyloxypropyl)piperidine-3-carboxamide
CID 100675858
(3S)-1-(benzenesulfonyl)-N-(3-cyclopentyloxypropyl)piperidine-3-carboxamide
CID 99622037
1-(4-chlorophenyl)sulfonyl-N-(cyclohexylmethyl)piperidine-3-carboxamide
CID 3214745
1-(5-bromothiophen-2-yl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide
CID 24654803
1-(4-chlorophenyl)sulfonyl-N-[2-(4-methoxyphenoxy)ethyl]piperidine-3-carboxamide
CID 55511669
(3R)-N-[3-(2-chlorophenyl)propyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 100675499
(3S)-1-(4-chlorophenyl)sulfonyl-N-[3-(cyclohexylamino)-3-oxopropyl]piperidine-3-carboxamide
CID 42570671
(3S)-1-(4-chlorophenyl)sulfonyl-N-(2-cyclopentylsulfanylethyl)piperidine-3-carboxamide
CID 32543820
(3S)-1-(4-chlorophenyl)sulfonyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 42535536
1-(4-chlorophenyl)sulfonyl-N-[3-(4-methoxyphenyl)propyl]piperidine-3-carboxamide
CID 55920266
ethyl N-[2-[[1-(4-chlorophenyl)sulfonylpiperidine-3-carbonyl]amino]ethyl]carbamate
CID 56558612
N-(3-methoxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 3156754

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide (CID 42936696) is 1-(4-chlorophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide is O=C(NCCCOC1CCCCC1)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide?
The InChIKey is NGRUIEYCOUDHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31ClN2O4S/c22-18-9-11-20(12-10-18)29(26,27)24-14-4-6-17(16-24)21(25)23-13-5-15-28-19-7-2-1-3-8-19/h9-12,17,19H,1-8,13-16H2,(H,23,25).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide has a molecular weight of 443.01 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide is sourced from PubChem (CID 42936696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).