1-(5-chloro-2-methoxyphenyl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide

C18H25ClN2O4S — CID 2992069

IUPAC1-(5-chloro-2-methoxyphenyl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C18H25ClN2O4S/c1-25-16-7-6-14(19)12-17(16)26(23,24)21-10-8-13(9-11-21)18(22)20-15-4-2-3-5-15/h6-7,12-13,15H,2-5,8-11H2,1H3,(H,20,22)
InChIKeyXPFOHPBCURWHTH-UHFFFAOYSA-N
MW400.93 g/mol
LogP2.81
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide

1-(5-chloro-2-methoxyphenyl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide (PubChem CID 2992069) has the molecular formula C18H25ClN2O4S and a molecular weight of 400.93 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide
PubChem CID2992069
Molecular FormulaC18H25ClN2O4S
Molecular Weight400.93 g/mol
Exact Mass400.12
IUPAC Name1-(5-chloro-2-methoxyphenyl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C18H25ClN2O4S/c1-25-16-7-6-14(19)12-17(16)26(23,24)21-10-8-13(9-11-21)18(22)20-15-4-2-3-5-15/h6-7,12-13,15H,2-5,8-11H2,1H3,(H,20,22)
InChIKeyXPFOHPBCURWHTH-UHFFFAOYSA-N
XLogP2.81
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.93
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide (CID 2992069) is 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide is COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NC2CCCC2)CC1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide?
The InChIKey is XPFOHPBCURWHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O4S/c1-25-16-7-6-14(19)12-17(16)26(23,24)21-10-8-13(9-11-21)18(22)20-15-4-2-3-5-15/h6-7,12-13,15H,2-5,8-11H2,1H3,(H,20,22).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide?
1-(5-chloro-2-methoxyphenyl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide has a molecular weight of 400.93 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide is sourced from PubChem (CID 2992069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).