2-[2-(cyclohexen-1-yl)ethylamino]-N-ethylbenzenesulfonamide

C16H24N2O2S — CID 61147344

IUPAC2-[2-(cyclohexen-1-yl)ethylamino]-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1NCCC1=CCCCC1
InChIInChI=1S/C16H24N2O2S/c1-2-18-21(19,20)16-11-7-6-10-15(16)17-13-12-14-8-4-3-5-9-14/h6-8,10-11,17-18H,2-5,9,12-13H2,1H3
InChIKeyCDHSNIPXVFWADS-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.29
Rot. Bonds7

About 2-[2-(cyclohexen-1-yl)ethylamino]-N-ethylbenzenesulfonamide

2-[2-(cyclohexen-1-yl)ethylamino]-N-ethylbenzenesulfonamide (PubChem CID 61147344) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-yl)ethylamino]-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name2-[2-(cyclohexen-1-yl)ethylamino]-N-ethylbenzenesulfonamide
PubChem CID61147344
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name2-[2-(cyclohexen-1-yl)ethylamino]-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1NCCC1=CCCCC1
InChIInChI=1S/C16H24N2O2S/c1-2-18-21(19,20)16-11-7-6-10-15(16)17-13-12-14-8-4-3-5-9-14/h6-8,10-11,17-18H,2-5,9,12-13H2,1H3
InChIKeyCDHSNIPXVFWADS-UHFFFAOYSA-N
XLogP3.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-ethylsulfonylaniline
CID 61146886
N-[2-(cyclohepten-1-yl)ethyl]-2-methylsulfonylaniline
CID 133477083
2-[2-(cyclohexen-1-yl)ethylamino]benzenesulfonamide
CID 61147190
N-[2-(cyclohexen-1-yl)ethyl]-2-nitrobenzenesulfonamide
CID 805384
4-[2-(cyclohexen-1-yl)ethylamino]-3-(2-hydroxyethylsulfamoyl)benzoic acid
CID 99978619
N-ethyl-2-[[(E)-pent-3-enyl]amino]benzenesulfonamide
CID 113465748
2-[2-(cyclohexen-1-yl)ethylamino]-5-(propylsulfamoyl)benzoic acid
CID 99981613
N-ethyl-2-hydrazinylbenzenesulfonamide
CID 43454365
N-ethyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzenesulfonamide
CID 63330321
5-[2-(cyclohexen-1-yl)ethylsulfamoyl]-2-(2-phenylethylamino)benzoic acid
CID 99983404
3-[2-(cyclohexen-1-yl)ethylsulfamoyl]-4-(2-methoxyethylamino)benzoic acid
CID 99978528
5-[2-(cyclohexen-1-yl)ethylsulfamoyl]-2-(ethylamino)benzoic acid
CID 99988628

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]-N-ethylbenzenesulfonamide?
The IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]-N-ethylbenzenesulfonamide (CID 61147344) is 2-[2-(cyclohexen-1-yl)ethylamino]-N-ethylbenzenesulfonamide.
What is the SMILES notation for 2-[2-(cyclohexen-1-yl)ethylamino]-N-ethylbenzenesulfonamide?
The canonical SMILES for 2-[2-(cyclohexen-1-yl)ethylamino]-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1ccccc1NCCC1=CCCCC1.
What is the InChIKey of 2-[2-(cyclohexen-1-yl)ethylamino]-N-ethylbenzenesulfonamide?
The InChIKey is CDHSNIPXVFWADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-2-18-21(19,20)16-11-7-6-10-15(16)17-13-12-14-8-4-3-5-9-14/h6-8,10-11,17-18H,2-5,9,12-13H2,1H3.
What are the key properties of 2-[2-(cyclohexen-1-yl)ethylamino]-N-ethylbenzenesulfonamide?
2-[2-(cyclohexen-1-yl)ethylamino]-N-ethylbenzenesulfonamide has a molecular weight of 308.45 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexen-1-yl)ethylamino]-N-ethylbenzenesulfonamide is sourced from PubChem (CID 61147344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).