1-(4-chlorophenyl)sulfonyl-N-(piperidin-3-ylmethyl)cyclopentane-1-carboxamide

C18H25ClN2O3S — CID 119460551

IUPAC1-(4-chlorophenyl)sulfonyl-N-(piperidin-3-ylmethyl)cyclopentane-1-carboxamide
SMILESO=C(NCC1CCCNC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C18H25ClN2O3S/c19-15-5-7-16(8-6-15)25(23,24)18(9-1-2-10-18)17(22)21-13-14-4-3-11-20-12-14/h5-8,14,20H,1-4,9-13H2,(H,21,22)
InChIKeySTETUUKLFFKUCU-UHFFFAOYSA-N
MW384.93 g/mol
LogP2.54
Rot. Bonds5

About 1-(4-chlorophenyl)sulfonyl-N-(piperidin-3-ylmethyl)cyclopentane-1-carboxamide

1-(4-chlorophenyl)sulfonyl-N-(piperidin-3-ylmethyl)cyclopentane-1-carboxamide (PubChem CID 119460551) has the molecular formula C18H25ClN2O3S and a molecular weight of 384.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(piperidin-3-ylmethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-(piperidin-3-ylmethyl)cyclopentane-1-carboxamide
PubChem CID119460551
Molecular FormulaC18H25ClN2O3S
Molecular Weight384.93 g/mol
Exact Mass384.13
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-(piperidin-3-ylmethyl)cyclopentane-1-carboxamide
SMILESO=C(NCC1CCCNC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C18H25ClN2O3S/c19-15-5-7-16(8-6-15)25(23,24)18(9-1-2-10-18)17(22)21-13-14-4-3-11-20-12-14/h5-8,14,20H,1-4,9-13H2,(H,21,22)
InChIKeySTETUUKLFFKUCU-UHFFFAOYSA-N
XLogP2.54
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.93
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(piperidin-3-ylmethyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(piperidin-3-ylmethyl)cyclopentane-1-carboxamide (CID 119460551) is 1-(4-chlorophenyl)sulfonyl-N-(piperidin-3-ylmethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(piperidin-3-ylmethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(piperidin-3-ylmethyl)cyclopentane-1-carboxamide is O=C(NCC1CCCNC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(piperidin-3-ylmethyl)cyclopentane-1-carboxamide?
The InChIKey is STETUUKLFFKUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O3S/c19-15-5-7-16(8-6-15)25(23,24)18(9-1-2-10-18)17(22)21-13-14-4-3-11-20-12-14/h5-8,14,20H,1-4,9-13H2,(H,21,22).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(piperidin-3-ylmethyl)cyclopentane-1-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-(piperidin-3-ylmethyl)cyclopentane-1-carboxamide has a molecular weight of 384.93 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-(piperidin-3-ylmethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 119460551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).