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

C18H25ClN2O3S — CID 1081036

IUPAC1-(3-chloro-4-methylphenyl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCC3)CC2)cc1Cl
InChIInChI=1S/C18H25ClN2O3S/c1-13-6-7-16(12-17(13)19)25(23,24)21-10-8-14(9-11-21)18(22)20-15-4-2-3-5-15/h6-7,12,14-15H,2-5,8-11H2,1H3,(H,20,22)
InChIKeyHBHGJZCPCASOHG-UHFFFAOYSA-N
MW384.93 g/mol
LogP3.11
Rot. Bonds4

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

1-(3-chloro-4-methylphenyl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide (PubChem CID 1081036) 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-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide
PubChem CID1081036
Molecular FormulaC18H25ClN2O3S
Molecular Weight384.93 g/mol
Exact Mass384.13
IUPAC Name1-(3-chloro-4-methylphenyl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCC3)CC2)cc1Cl
InChIInChI=1S/C18H25ClN2O3S/c1-13-6-7-16(12-17(13)19)25(23,24)21-10-8-14(9-11-21)18(22)20-15-4-2-3-5-15/h6-7,12,14-15H,2-5,8-11H2,1H3,(H,20,22)
InChIKeyHBHGJZCPCASOHG-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-4-methylphenyl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide?
The IUPAC name of 1-(3-chloro-4-methylphenyl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide (CID 1081036) is 1-(3-chloro-4-methylphenyl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCC3)CC2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide?
The InChIKey is HBHGJZCPCASOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O3S/c1-13-6-7-16(12-17(13)19)25(23,24)21-10-8-14(9-11-21)18(22)20-15-4-2-3-5-15/h6-7,12,14-15H,2-5,8-11H2,1H3,(H,20,22).
What are the key properties of 1-(3-chloro-4-methylphenyl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide?
1-(3-chloro-4-methylphenyl)sulfonyl-N-cyclopentylpiperidine-4-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-4-carboxamide is sourced from PubChem (CID 1081036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).