4-cyclohexyl-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide

C27H36N2O3S — CID 53103802

IUPAC4-cyclohexyl-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
SMILESCc1ccc(C(=O)N2CCC(CCNS(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)cc1
InChIInChI=1S/C27H36N2O3S/c1-21-7-9-25(10-8-21)27(30)29-19-16-22(17-20-29)15-18-28-33(31,32)26-13-11-24(12-14-26)23-5-3-2-4-6-23/h7-14,22-23,28H,2-6,15-20H2,1H3
InChIKeyAXEALRIUTVDXCL-UHFFFAOYSA-N
MW468.66 g/mol
LogP5.26
Rot. Bonds7

About 4-cyclohexyl-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide

4-cyclohexyl-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide (PubChem CID 53103802) has the molecular formula C27H36N2O3S and a molecular weight of 468.66 g/mol. Its IUPAC name is 4-cyclohexyl-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyclohexyl-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
PubChem CID53103802
Molecular FormulaC27H36N2O3S
Molecular Weight468.66 g/mol
Exact Mass468.24
IUPAC Name4-cyclohexyl-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
SMILESCc1ccc(C(=O)N2CCC(CCNS(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)cc1
InChIInChI=1S/C27H36N2O3S/c1-21-7-9-25(10-8-21)27(30)29-19-16-22(17-20-29)15-18-28-33(31,32)26-13-11-24(12-14-26)23-5-3-2-4-6-23/h7-14,22-23,28H,2-6,15-20H2,1H3
InChIKeyAXEALRIUTVDXCL-UHFFFAOYSA-N
XLogP5.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.66
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(4-cyclohexylphenyl)sulfonylamino]ethyl]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 46381921
3,4-dimethoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
CID 53103804
2,5-difluoro-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
CID 53103824
N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
CID 46379013
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-4-bromobenzenesulfonamide
CID 53103840
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-4-fluorobenzenesulfonamide
CID 53103835
N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]cyclohexanecarboxamide
CID 46378930
N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-2,4-dimethylbenzenesulfonamide
CID 53103758
4-cyclohexyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 24656637
2,5-dimethoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
CID 53103803
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2-methylbenzenesulfonamide
CID 53103847
4-methyl-N-[[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 3641566

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-cyclohexyl-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide (CID 53103802) is 4-cyclohexyl-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-cyclohexyl-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-cyclohexyl-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide is Cc1ccc(C(=O)N2CCC(CCNS(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)cc1.
What is the InChIKey of 4-cyclohexyl-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide?
The InChIKey is AXEALRIUTVDXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O3S/c1-21-7-9-25(10-8-21)27(30)29-19-16-22(17-20-29)15-18-28-33(31,32)26-13-11-24(12-14-26)23-5-3-2-4-6-23/h7-14,22-23,28H,2-6,15-20H2,1H3.
What are the key properties of 4-cyclohexyl-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide?
4-cyclohexyl-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide has a molecular weight of 468.66 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 53103802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).