(3S)-1-(3,5-dichlorophenyl)sulfonyl-N-(3-hydroxycyclohexyl)piperidine-3-carboxamide

C18H24Cl2N2O4S — CID 11618939

IUPAC(3S)-1-(3,5-dichlorophenyl)sulfonyl-N-(3-hydroxycyclohexyl)piperidine-3-carboxamide
SMILESO=C(NC1CCCC(O)C1)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C18H24Cl2N2O4S/c19-13-7-14(20)9-17(8-13)27(25,26)22-6-2-3-12(11-22)18(24)21-15-4-1-5-16(23)10-15/h7-9,12,15-16,23H,1-6,10-11H2,(H,21,24)/t12-,15?,16?/m0/s1
InChIKeyCKPALIIJIMQJKM-JQRITLKVSA-N
MW435.37 g/mol
LogP2.81
Rot. Bonds4

About (3S)-1-(3,5-dichlorophenyl)sulfonyl-N-(3-hydroxycyclohexyl)piperidine-3-carboxamide

(3S)-1-(3,5-dichlorophenyl)sulfonyl-N-(3-hydroxycyclohexyl)piperidine-3-carboxamide (PubChem CID 11618939) has the molecular formula C18H24Cl2N2O4S and a molecular weight of 435.37 g/mol. Its IUPAC name is (3S)-1-(3,5-dichlorophenyl)sulfonyl-N-(3-hydroxycyclohexyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(3,5-dichlorophenyl)sulfonyl-N-(3-hydroxycyclohexyl)piperidine-3-carboxamide
PubChem CID11618939
Molecular FormulaC18H24Cl2N2O4S
Molecular Weight435.37 g/mol
Exact Mass434.08
IUPAC Name(3S)-1-(3,5-dichlorophenyl)sulfonyl-N-(3-hydroxycyclohexyl)piperidine-3-carboxamide
SMILESO=C(NC1CCCC(O)C1)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C18H24Cl2N2O4S/c19-13-7-14(20)9-17(8-13)27(25,26)22-6-2-3-12(11-22)18(24)21-15-4-1-5-16(23)10-15/h7-9,12,15-16,23H,1-6,10-11H2,(H,21,24)/t12-,15?,16?/m0/s1
InChIKeyCKPALIIJIMQJKM-JQRITLKVSA-N
XLogP2.81
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.37
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxycyclohexyl)-1-(3-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 76823868
1-(3-chloro-2-methylphenyl)sulfonyl-N-(3-hydroxycyclohexyl)piperidine-3-carboxamide
CID 69263233
1-(3-chlorophenyl)sulfonyl-N-cycloheptylpiperidine-3-carboxamide
CID 69262233
N-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide
CID 68875719
(3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide
CID 39898448
[1-(3,5-dichlorophenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 24604852
(3S)-1-(3-chloro-5-fluorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 136580982
(3R)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 100672958
(3S)-1-(3-chlorophenyl)sulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide
CID 1445981
(3S)-N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9268767
(3S)-N-(4-hydroxycyclohexyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 11502569
(3R)-1-(4-bromophenyl)sulfonyl-N-cyclopropylpiperidine-3-carboxamide
CID 41302436

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3,5-dichlorophenyl)sulfonyl-N-(3-hydroxycyclohexyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(3,5-dichlorophenyl)sulfonyl-N-(3-hydroxycyclohexyl)piperidine-3-carboxamide (CID 11618939) is (3S)-1-(3,5-dichlorophenyl)sulfonyl-N-(3-hydroxycyclohexyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(3,5-dichlorophenyl)sulfonyl-N-(3-hydroxycyclohexyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(3,5-dichlorophenyl)sulfonyl-N-(3-hydroxycyclohexyl)piperidine-3-carboxamide is O=C(NC1CCCC(O)C1)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of (3S)-1-(3,5-dichlorophenyl)sulfonyl-N-(3-hydroxycyclohexyl)piperidine-3-carboxamide?
The InChIKey is CKPALIIJIMQJKM-JQRITLKVSA-N. The full InChI is InChI=1S/C18H24Cl2N2O4S/c19-13-7-14(20)9-17(8-13)27(25,26)22-6-2-3-12(11-22)18(24)21-15-4-1-5-16(23)10-15/h7-9,12,15-16,23H,1-6,10-11H2,(H,21,24)/t12-,15?,16?/m0/s1.
What are the key properties of (3S)-1-(3,5-dichlorophenyl)sulfonyl-N-(3-hydroxycyclohexyl)piperidine-3-carboxamide?
(3S)-1-(3,5-dichlorophenyl)sulfonyl-N-(3-hydroxycyclohexyl)piperidine-3-carboxamide has a molecular weight of 435.37 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3,5-dichlorophenyl)sulfonyl-N-(3-hydroxycyclohexyl)piperidine-3-carboxamide is sourced from PubChem (CID 11618939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).