1-(3-chloro-4-methylphenyl)sulfonyl-N-cyclopentylpiperidine-3-carboxamide

C18H25ClN2O3S — CID 3214769

IUPAC1-(3-chloro-4-methylphenyl)sulfonyl-N-cyclopentylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)NC3CCCC3)C2)cc1Cl
InChIInChI=1S/C18H25ClN2O3S/c1-13-8-9-16(11-17(13)19)25(23,24)21-10-4-5-14(12-21)18(22)20-15-6-2-3-7-15/h8-9,11,14-15H,2-7,10,12H2,1H3,(H,20,22)
InChIKeyUWINVZMWMTVJSR-UHFFFAOYSA-N
MW384.93 g/mol
LogP3.11
Rot. Bonds4

About 1-(3-chloro-4-methylphenyl)sulfonyl-N-cyclopentylpiperidine-3-carboxamide

1-(3-chloro-4-methylphenyl)sulfonyl-N-cyclopentylpiperidine-3-carboxamide (PubChem CID 3214769) has the molecular formula C18H25ClN2O3S and a molecular weight of 384.93 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)sulfonyl-N-cyclopentylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)sulfonyl-N-cyclopentylpiperidine-3-carboxamide
PubChem CID3214769
Molecular FormulaC18H25ClN2O3S
Molecular Weight384.93 g/mol
Exact Mass384.13
IUPAC Name1-(3-chloro-4-methylphenyl)sulfonyl-N-cyclopentylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)NC3CCCC3)C2)cc1Cl
InChIInChI=1S/C18H25ClN2O3S/c1-13-8-9-16(11-17(13)19)25(23,24)21-10-4-5-14(12-21)18(22)20-15-6-2-3-7-15/h8-9,11,14-15H,2-7,10,12H2,1H3,(H,20,22)
InChIKeyUWINVZMWMTVJSR-UHFFFAOYSA-N
XLogP3.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.93
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-1-((3-Chloro-2-methylphenyl)sulfonyl)-N-cyclohexylpiperidine-3-carboxamide
CID 11538562
(3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-3-carboxamide
CID 71453048
(3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-3-carboxamide
CID 90643790
3-[(3-chloro-2-methylphenyl)sulfonylamino]-N-cycloheptyl-3-methylbutanamide
CID 54754864
3-[(3-chloro-2-methylphenyl)sulfonylamino]-N-cyclohexyl-3-methylbutanamide
CID 70650937
(2R)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexyl-2-methylpyrrolidine-2-carboxamide
CID 71456570
N-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide
CID 1077699
1-(3-Chloro-4-methyl-benzenesulfonyl)-piperidine-4-carboxylic acid cyclopentylamide
CID 1081036
Cyclohexanecarboxylic acid [1-(4-chloro-benzenesulfonyl)-piperidin-4-yl]-amide
CID 1241283
1-(Toluene-4-sulfonyl)-piperidine-3-carboxylic acid cyclopentylamide
CID 3150975
N-cyclopropyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 3150978
(2S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexyl-2-methylpyrrolidine-2-carboxamide
CID 71460267

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)sulfonyl-N-cyclopentylpiperidine-3-carboxamide?
The IUPAC name of 1-(3-chloro-4-methylphenyl)sulfonyl-N-cyclopentylpiperidine-3-carboxamide (CID 3214769) is 1-(3-chloro-4-methylphenyl)sulfonyl-N-cyclopentylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)sulfonyl-N-cyclopentylpiperidine-3-carboxamide?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)sulfonyl-N-cyclopentylpiperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC(C(=O)NC3CCCC3)C2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)sulfonyl-N-cyclopentylpiperidine-3-carboxamide?
The InChIKey is UWINVZMWMTVJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O3S/c1-13-8-9-16(11-17(13)19)25(23,24)21-10-4-5-14(12-21)18(22)20-15-6-2-3-7-15/h8-9,11,14-15H,2-7,10,12H2,1H3,(H,20,22).
What are the key properties of 1-(3-chloro-4-methylphenyl)sulfonyl-N-cyclopentylpiperidine-3-carboxamide?
1-(3-chloro-4-methylphenyl)sulfonyl-N-cyclopentylpiperidine-3-carboxamide has a molecular weight of 384.93 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)sulfonyl-N-cyclopentylpiperidine-3-carboxamide is sourced from PubChem (CID 3214769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).