N-[4-(4-hydroxycyclohexyl)phenyl]sulfonylpiperidine-3-carboxamide

C18H26N2O4S — CID 142776977

IUPACN-[4-(4-hydroxycyclohexyl)phenyl]sulfonylpiperidine-3-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(C2CCC(O)CC2)cc1)C1CCCNC1
InChIInChI=1S/C18H26N2O4S/c21-16-7-3-13(4-8-16)14-5-9-17(10-6-14)25(23,24)20-18(22)15-2-1-11-19-12-15/h5-6,9-10,13,15-16,19,21H,1-4,7-8,11-12H2,(H,20,22)
InChIKeyPMHMOZGIABUTKQ-UHFFFAOYSA-N
MW366.48 g/mol
LogP1.51
Rot. Bonds4

About N-[4-(4-hydroxycyclohexyl)phenyl]sulfonylpiperidine-3-carboxamide

N-[4-(4-hydroxycyclohexyl)phenyl]sulfonylpiperidine-3-carboxamide (PubChem CID 142776977) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is N-[4-(4-hydroxycyclohexyl)phenyl]sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-hydroxycyclohexyl)phenyl]sulfonylpiperidine-3-carboxamide
PubChem CID142776977
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC NameN-[4-(4-hydroxycyclohexyl)phenyl]sulfonylpiperidine-3-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(C2CCC(O)CC2)cc1)C1CCCNC1
InChIInChI=1S/C18H26N2O4S/c21-16-7-3-13(4-8-16)14-5-9-17(10-6-14)25(23,24)20-18(22)15-2-1-11-19-12-15/h5-6,9-10,13,15-16,19,21H,1-4,7-8,11-12H2,(H,20,22)
InChIKeyPMHMOZGIABUTKQ-UHFFFAOYSA-N
XLogP1.51
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-phenylbutan-2-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 142776972
4-cyclohexyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 120716650
N-[4-(cyclopropylmethylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 119287765
(3S)-N-(2,5-dimethylpyrrol-1-yl)piperidine-3-carboxamide
CID 81134213
N-[[2-(benzenesulfonamido)phenyl]methyl]piperidine-3-carboxamide
CID 119301276
3-(4-cyclopropylsulfonylphenyl)piperidine
CID 117417990
(3R)-N-(2-bromo-4-sulfamoylphenyl)piperidine-3-carboxamide
CID 81125256
(3S)-N-(2-bromo-4-sulfamoylphenyl)piperidine-3-carboxamide
CID 81125110
N-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 146156641
(3R)-N-propylsulfonylpiperidine-3-carboxamide;hydrochloride
CID 166001356
N-(2-methylsulfonylphenyl)piperidine-3-carboxamide
CID 43709740
4-cyclohexyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119966752

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-hydroxycyclohexyl)phenyl]sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[4-(4-hydroxycyclohexyl)phenyl]sulfonylpiperidine-3-carboxamide (CID 142776977) is N-[4-(4-hydroxycyclohexyl)phenyl]sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[4-(4-hydroxycyclohexyl)phenyl]sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[4-(4-hydroxycyclohexyl)phenyl]sulfonylpiperidine-3-carboxamide is O=C(NS(=O)(=O)c1ccc(C2CCC(O)CC2)cc1)C1CCCNC1.
What is the InChIKey of N-[4-(4-hydroxycyclohexyl)phenyl]sulfonylpiperidine-3-carboxamide?
The InChIKey is PMHMOZGIABUTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c21-16-7-3-13(4-8-16)14-5-9-17(10-6-14)25(23,24)20-18(22)15-2-1-11-19-12-15/h5-6,9-10,13,15-16,19,21H,1-4,7-8,11-12H2,(H,20,22).
What are the key properties of N-[4-(4-hydroxycyclohexyl)phenyl]sulfonylpiperidine-3-carboxamide?
N-[4-(4-hydroxycyclohexyl)phenyl]sulfonylpiperidine-3-carboxamide has a molecular weight of 366.48 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-hydroxycyclohexyl)phenyl]sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 142776977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).