1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclopentylpiperidine-3-carboxamide

C18H25ClN2O3S — CID 11494729

IUPAC1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclopentylpiperidine-3-carboxamide
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCCC(C(=O)NC2CCCC2)C1
InChIInChI=1S/C18H25ClN2O3S/c1-13-16(19)9-4-10-17(13)25(23,24)21-11-5-6-14(12-21)18(22)20-15-7-2-3-8-15/h4,9-10,14-15H,2-3,5-8,11-12H2,1H3,(H,20,22)
InChIKeyWTKUGAUSIFXIGA-UHFFFAOYSA-N
MW384.93 g/mol
LogP3.11
Rot. Bonds4

About 1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclopentylpiperidine-3-carboxamide

1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclopentylpiperidine-3-carboxamide (PubChem CID 11494729) has the molecular formula C18H25ClN2O3S and a molecular weight of 384.93 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclopentylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclopentylpiperidine-3-carboxamide
PubChem CID11494729
Molecular FormulaC18H25ClN2O3S
Molecular Weight384.93 g/mol
Exact Mass384.13
IUPAC Name1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclopentylpiperidine-3-carboxamide
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCCC(C(=O)NC2CCCC2)C1
InChIInChI=1S/C18H25ClN2O3S/c1-13-16(19)9-4-10-17(13)25(23,24)21-11-5-6-14(12-21)18(22)20-15-7-2-3-8-15/h4,9-10,14-15H,2-3,5-8,11-12H2,1H3,(H,20,22)
InChIKeyWTKUGAUSIFXIGA-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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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclopentylpiperidine-3-carboxamide?
The IUPAC name of 1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclopentylpiperidine-3-carboxamide (CID 11494729) is 1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclopentylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclopentylpiperidine-3-carboxamide?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclopentylpiperidine-3-carboxamide is Cc1c(Cl)cccc1S(=O)(=O)N1CCCC(C(=O)NC2CCCC2)C1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclopentylpiperidine-3-carboxamide?
The InChIKey is WTKUGAUSIFXIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O3S/c1-13-16(19)9-4-10-17(13)25(23,24)21-11-5-6-14(12-21)18(22)20-15-7-2-3-8-15/h4,9-10,14-15H,2-3,5-8,11-12H2,1H3,(H,20,22).
What are the key properties of 1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclopentylpiperidine-3-carboxamide?
1-(3-chloro-2-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-2-methylphenyl)sulfonyl-N-cyclopentylpiperidine-3-carboxamide is sourced from PubChem (CID 11494729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).