(3S)-1-(3-chlorophenyl)sulfonyl-N-cyclohexylpiperidine-3-carboxamide

C18H25ClN2O3S — CID 11538237

IUPAC(3S)-1-(3-chlorophenyl)sulfonyl-N-cyclohexylpiperidine-3-carboxamide
SMILESO=C(NC1CCCCC1)[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C18H25ClN2O3S/c19-15-7-4-10-17(12-15)25(23,24)21-11-5-6-14(13-21)18(22)20-16-8-2-1-3-9-16/h4,7,10,12,14,16H,1-3,5-6,8-9,11,13H2,(H,20,22)/t14-/m0/s1
InChIKeyXOVDTJFMSZZWBV-AWEZNQCLSA-N
MW384.93 g/mol
LogP3.19
Rot. Bonds4

About (3S)-1-(3-chlorophenyl)sulfonyl-N-cyclohexylpiperidine-3-carboxamide

(3S)-1-(3-chlorophenyl)sulfonyl-N-cyclohexylpiperidine-3-carboxamide (PubChem CID 11538237) has the molecular formula C18H25ClN2O3S and a molecular weight of 384.93 g/mol. Its IUPAC name is (3S)-1-(3-chlorophenyl)sulfonyl-N-cyclohexylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(3-chlorophenyl)sulfonyl-N-cyclohexylpiperidine-3-carboxamide
PubChem CID11538237
Molecular FormulaC18H25ClN2O3S
Molecular Weight384.93 g/mol
Exact Mass384.13
IUPAC Name(3S)-1-(3-chlorophenyl)sulfonyl-N-cyclohexylpiperidine-3-carboxamide
SMILESO=C(NC1CCCCC1)[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C18H25ClN2O3S/c19-15-7-4-10-17(12-15)25(23,24)21-11-5-6-14(13-21)18(22)20-16-8-2-1-3-9-16/h4,7,10,12,14,16H,1-3,5-6,8-9,11,13H2,(H,20,22)/t14-/m0/s1
InChIKeyXOVDTJFMSZZWBV-AWEZNQCLSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-chlorophenyl)sulfonyl-N-cyclohexylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(3-chlorophenyl)sulfonyl-N-cyclohexylpiperidine-3-carboxamide (CID 11538237) is (3S)-1-(3-chlorophenyl)sulfonyl-N-cyclohexylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(3-chlorophenyl)sulfonyl-N-cyclohexylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(3-chlorophenyl)sulfonyl-N-cyclohexylpiperidine-3-carboxamide is O=C(NC1CCCCC1)[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2)C1.
What is the InChIKey of (3S)-1-(3-chlorophenyl)sulfonyl-N-cyclohexylpiperidine-3-carboxamide?
The InChIKey is XOVDTJFMSZZWBV-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25ClN2O3S/c19-15-7-4-10-17(12-15)25(23,24)21-11-5-6-14(13-21)18(22)20-16-8-2-1-3-9-16/h4,7,10,12,14,16H,1-3,5-6,8-9,11,13H2,(H,20,22)/t14-/m0/s1.
What are the key properties of (3S)-1-(3-chlorophenyl)sulfonyl-N-cyclohexylpiperidine-3-carboxamide?
(3S)-1-(3-chlorophenyl)sulfonyl-N-cyclohexylpiperidine-3-carboxamide has a molecular weight of 384.93 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-chlorophenyl)sulfonyl-N-cyclohexylpiperidine-3-carboxamide is sourced from PubChem (CID 11538237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).