1-(4-chlorophenyl)sulfonyl-N-(1-methylsulfonylpiperidin-4-yl)cyclopentane-1-carboxamide

C18H25ClN2O5S2 — CID 37077615

IUPAC1-(4-chlorophenyl)sulfonyl-N-(1-methylsulfonylpiperidin-4-yl)cyclopentane-1-carboxamide
SMILESCS(=O)(=O)N1CCC(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)CC1
InChIInChI=1S/C18H25ClN2O5S2/c1-27(23,24)21-12-8-15(9-13-21)20-17(22)18(10-2-3-11-18)28(25,26)16-6-4-14(19)5-7-16/h4-7,15H,2-3,8-13H2,1H3,(H,20,22)
InChIKeyHESREHZCVMKEPZ-UHFFFAOYSA-N
MW448.99 g/mol
LogP1.97
Rot. Bonds5

About 1-(4-chlorophenyl)sulfonyl-N-(1-methylsulfonylpiperidin-4-yl)cyclopentane-1-carboxamide

1-(4-chlorophenyl)sulfonyl-N-(1-methylsulfonylpiperidin-4-yl)cyclopentane-1-carboxamide (PubChem CID 37077615) has the molecular formula C18H25ClN2O5S2 and a molecular weight of 448.99 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(1-methylsulfonylpiperidin-4-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-(1-methylsulfonylpiperidin-4-yl)cyclopentane-1-carboxamide
PubChem CID37077615
Molecular FormulaC18H25ClN2O5S2
Molecular Weight448.99 g/mol
Exact Mass448.09
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-(1-methylsulfonylpiperidin-4-yl)cyclopentane-1-carboxamide
SMILESCS(=O)(=O)N1CCC(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)CC1
InChIInChI=1S/C18H25ClN2O5S2/c1-27(23,24)21-12-8-15(9-13-21)20-17(22)18(10-2-3-11-18)28(25,26)16-6-4-14(19)5-7-16/h4-7,15H,2-3,8-13H2,1H3,(H,20,22)
InChIKeyHESREHZCVMKEPZ-UHFFFAOYSA-N
XLogP1.97
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.99
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(1-methylsulfonylpiperidin-4-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(1-methylsulfonylpiperidin-4-yl)cyclopentane-1-carboxamide (CID 37077615) is 1-(4-chlorophenyl)sulfonyl-N-(1-methylsulfonylpiperidin-4-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(1-methylsulfonylpiperidin-4-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(1-methylsulfonylpiperidin-4-yl)cyclopentane-1-carboxamide is CS(=O)(=O)N1CCC(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(1-methylsulfonylpiperidin-4-yl)cyclopentane-1-carboxamide?
The InChIKey is HESREHZCVMKEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O5S2/c1-27(23,24)21-12-8-15(9-13-21)20-17(22)18(10-2-3-11-18)28(25,26)16-6-4-14(19)5-7-16/h4-7,15H,2-3,8-13H2,1H3,(H,20,22).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(1-methylsulfonylpiperidin-4-yl)cyclopentane-1-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-(1-methylsulfonylpiperidin-4-yl)cyclopentane-1-carboxamide has a molecular weight of 448.99 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-(1-methylsulfonylpiperidin-4-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 37077615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).