2-[2-(cyclohexen-1-yl)ethylamino]benzenesulfonamide

C14H20N2O2S — CID 61147190

IUPAC2-[2-(cyclohexen-1-yl)ethylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1NCCC1=CCCCC1
InChIInChI=1S/C14H20N2O2S/c15-19(17,18)14-9-5-4-8-13(14)16-11-10-12-6-2-1-3-7-12/h4-6,8-9,16H,1-3,7,10-11H2,(H2,15,17,18)
InChIKeyADFSUFYDENQKCM-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.64
Rot. Bonds5

About 2-[2-(cyclohexen-1-yl)ethylamino]benzenesulfonamide

2-[2-(cyclohexen-1-yl)ethylamino]benzenesulfonamide (PubChem CID 61147190) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-yl)ethylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-(cyclohexen-1-yl)ethylamino]benzenesulfonamide
PubChem CID61147190
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2-[2-(cyclohexen-1-yl)ethylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1NCCC1=CCCCC1
InChIInChI=1S/C14H20N2O2S/c15-19(17,18)14-9-5-4-8-13(14)16-11-10-12-6-2-1-3-7-12/h4-6,8-9,16H,1-3,7,10-11H2,(H2,15,17,18)
InChIKeyADFSUFYDENQKCM-UHFFFAOYSA-N
XLogP2.64
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.64
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-(cyclohepten-1-yl)ethyl]-2-methylsulfonylaniline
CID 133477083
N-[2-(cyclohexen-1-yl)ethyl]-2-ethylsulfonylaniline
CID 61146886
2-[2-(cyclohexen-1-yl)ethylamino]-N-ethylbenzenesulfonamide
CID 61147344
2-(cyclohexen-1-yl)-N-(2-sulfamoylphenyl)acetamide
CID 63563480
1-N-[2-(cyclohexen-1-yl)ethyl]-4-methylbenzene-1,2-diamine
CID 107845952
N-[2-(cyclohexen-1-yl)ethyl]-2-nitrobenzenesulfonamide
CID 805384
2-(2-bromoanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 54816624
1-N-[2-(cyclohexen-1-yl)ethyl]-3-propoxybenzene-1,2-diamine
CID 107846137
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(methanesulfonamido)phenyl]acetamide
CID 56786800
4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 61147188
5-[2-(cyclohexen-1-yl)ethylsulfamoyl]-2-(2-phenylethylamino)benzoic acid
CID 99983404
4-[2-(cyclohexen-1-yl)ethylamino]-3-fluorobenzamide
CID 126811874

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]benzenesulfonamide?
The IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]benzenesulfonamide (CID 61147190) is 2-[2-(cyclohexen-1-yl)ethylamino]benzenesulfonamide.
What is the SMILES notation for 2-[2-(cyclohexen-1-yl)ethylamino]benzenesulfonamide?
The canonical SMILES for 2-[2-(cyclohexen-1-yl)ethylamino]benzenesulfonamide is NS(=O)(=O)c1ccccc1NCCC1=CCCCC1.
What is the InChIKey of 2-[2-(cyclohexen-1-yl)ethylamino]benzenesulfonamide?
The InChIKey is ADFSUFYDENQKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c15-19(17,18)14-9-5-4-8-13(14)16-11-10-12-6-2-1-3-7-12/h4-6,8-9,16H,1-3,7,10-11H2,(H2,15,17,18).
What are the key properties of 2-[2-(cyclohexen-1-yl)ethylamino]benzenesulfonamide?
2-[2-(cyclohexen-1-yl)ethylamino]benzenesulfonamide has a molecular weight of 280.39 g/mol, XLogP of 2.64, 5 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]benzenesulfonamide is sourced from PubChem (CID 61147190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).