N-[2-(cyclohexen-1-yl)ethyl]-4-hexylbenzenesulfonamide

C20H31NO2S — CID 84556978

IUPACN-[2-(cyclohexen-1-yl)ethyl]-4-hexylbenzenesulfonamide
SMILESCCCCCCc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C20H31NO2S/c1-2-3-4-6-11-19-12-14-20(15-13-19)24(22,23)21-17-16-18-9-7-5-8-10-18/h9,12-15,21H,2-8,10-11,16-17H2,1H3
InChIKeyXPXIJMRUBJRNFN-UHFFFAOYSA-N
MW349.54 g/mol
LogP4.98
Rot. Bonds10

About N-[2-(cyclohexen-1-yl)ethyl]-4-hexylbenzenesulfonamide

N-[2-(cyclohexen-1-yl)ethyl]-4-hexylbenzenesulfonamide (PubChem CID 84556978) has the molecular formula C20H31NO2S and a molecular weight of 349.54 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-4-hexylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-4-hexylbenzenesulfonamide
PubChem CID84556978
Molecular FormulaC20H31NO2S
Molecular Weight349.54 g/mol
Exact Mass349.21
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-4-hexylbenzenesulfonamide
SMILESCCCCCCc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C20H31NO2S/c1-2-3-4-6-11-19-12-14-20(15-13-19)24(22,23)21-17-16-18-9-7-5-8-10-18/h9,12-15,21H,2-8,10-11,16-17H2,1H3
InChIKeyXPXIJMRUBJRNFN-UHFFFAOYSA-N
XLogP4.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.54
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]phenyl]methyl]acetamide
CID 31481407
1-octylcyclohexene
CID 519088
N-(3-butoxypropyl)-4-hexylbenzenesulfonamide
CID 84556936
N-[2-(cyclohexen-1-yl)ethyl]-3-methylsulfonylbenzenesulfonamide
CID 110759188
N-[2-(cyclohexen-1-yl)ethyl]-4-ethoxy-3-methylbenzenesulfonamide
CID 37478389
1-hexylcycloheptene
CID 15587826
1-nonylcyclooctene
CID 151486862
4-amino-3-bromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide
CID 62058693
4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-cyclopropylbenzamide
CID 109058268
4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-[3-(dimethylamino)propyl]benzamide
CID 109059659
4-amino-3-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide
CID 107855942
N-[2-(cyclohexen-1-yl)ethyl]-4-fluoro-3-methoxybenzenesulfonamide
CID 8721900

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-hexylbenzenesulfonamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-hexylbenzenesulfonamide (CID 84556978) is N-[2-(cyclohexen-1-yl)ethyl]-4-hexylbenzenesulfonamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-4-hexylbenzenesulfonamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-4-hexylbenzenesulfonamide is CCCCCCc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-4-hexylbenzenesulfonamide?
The InChIKey is XPXIJMRUBJRNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2S/c1-2-3-4-6-11-19-12-14-20(15-13-19)24(22,23)21-17-16-18-9-7-5-8-10-18/h9,12-15,21H,2-8,10-11,16-17H2,1H3.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-4-hexylbenzenesulfonamide?
N-[2-(cyclohexen-1-yl)ethyl]-4-hexylbenzenesulfonamide has a molecular weight of 349.54 g/mol, XLogP of 4.98, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-4-hexylbenzenesulfonamide is sourced from PubChem (CID 84556978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).