N-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide

C18H25ClN2O3S — CID 68875719

IUPACN-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide
SMILESO=C(NC1CCCN(S(=O)(=O)c2cccc(Cl)c2)C1)C1CCCCC1
InChIInChI=1S/C18H25ClN2O3S/c19-15-8-4-10-17(12-15)25(23,24)21-11-5-9-16(13-21)20-18(22)14-6-2-1-3-7-14/h4,8,10,12,14,16H,1-3,5-7,9,11,13H2,(H,20,22)
InChIKeyKJHWKWXEWOFRNZ-UHFFFAOYSA-N
MW384.93 g/mol
LogP3.19
Rot. Bonds4

About N-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide

N-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide (PubChem CID 68875719) has the molecular formula C18H25ClN2O3S and a molecular weight of 384.93 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide
PubChem CID68875719
Molecular FormulaC18H25ClN2O3S
Molecular Weight384.93 g/mol
Exact Mass384.13
IUPAC NameN-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide
SMILESO=C(NC1CCCN(S(=O)(=O)c2cccc(Cl)c2)C1)C1CCCCC1
InChIInChI=1S/C18H25ClN2O3S/c19-15-8-4-10-17(12-15)25(23,24)21-11-5-9-16(13-21)20-18(22)14-6-2-1-3-7-14/h4,8,10,12,14,16H,1-3,5-7,9,11,13H2,(H,20,22)
InChIKeyKJHWKWXEWOFRNZ-UHFFFAOYSA-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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Related Compounds

1-(3-chlorophenyl)sulfonyl-N-cycloheptylpiperidine-3-carboxamide
CID 69262233
(3S)-1-(3-chlorophenyl)sulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide
CID 1445981
1-(3-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536748
(3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide
CID 39898448
N-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide
CID 68873987
(3R)-1-[(3-chlorophenyl)methylsulfonyl]-N-cyclopentylpiperidine-3-carboxamide
CID 92641664
(3S)-N-cyclohexyl-1-(3-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 11531019
(3S)-N-cyclohexyl-1-(3-phenoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 11619138
N-[[1-(3-chlorophenyl)sulfonylazetidin-3-yl]methyl]cyclooctanecarboxamide
CID 173136687
N-[(3S)-1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide
CID 58656229
1-(3-bromophenyl)sulfonyl-N-cyclohexylpyrrolidine-3-carboxamide
CID 175666701
4-(3-chlorophenyl)sulfonyl-N-cyclohexylpiperazine-1-carbothioamide
CID 8745764

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide (CID 68875719) is N-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide is O=C(NC1CCCN(S(=O)(=O)c2cccc(Cl)c2)C1)C1CCCCC1.
What is the InChIKey of N-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide?
The InChIKey is KJHWKWXEWOFRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O3S/c19-15-8-4-10-17(12-15)25(23,24)21-11-5-9-16(13-21)20-18(22)14-6-2-1-3-7-14/h4,8,10,12,14,16H,1-3,5-7,9,11,13H2,(H,20,22).
What are the key properties of N-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide?
N-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide 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 N-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 68875719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).