2-chloro-N-(1-cyclohexylethyl)-5-(trifluoromethyl)benzenesulfonamide

C15H19ClF3NO2S — CID 3311116

IUPAC2-chloro-N-(1-cyclohexylethyl)-5-(trifluoromethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C1CCCCC1
InChIInChI=1S/C15H19ClF3NO2S/c1-10(11-5-3-2-4-6-11)20-23(21,22)14-9-12(15(17,18)19)7-8-13(14)16/h7-11,20H,2-6H2,1H3
InChIKeyQECYOQPIALPLJE-UHFFFAOYSA-N
MW369.84 g/mol
LogP4.61
Rot. Bonds4

About 2-chloro-N-(1-cyclohexylethyl)-5-(trifluoromethyl)benzenesulfonamide

2-chloro-N-(1-cyclohexylethyl)-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 3311116) has the molecular formula C15H19ClF3NO2S and a molecular weight of 369.84 g/mol. Its IUPAC name is 2-chloro-N-(1-cyclohexylethyl)-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1-cyclohexylethyl)-5-(trifluoromethyl)benzenesulfonamide
PubChem CID3311116
Molecular FormulaC15H19ClF3NO2S
Molecular Weight369.84 g/mol
Exact Mass369.08
IUPAC Name2-chloro-N-(1-cyclohexylethyl)-5-(trifluoromethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C1CCCCC1
InChIInChI=1S/C15H19ClF3NO2S/c1-10(11-5-3-2-4-6-11)20-23(21,22)14-9-12(15(17,18)19)7-8-13(14)16/h7-11,20H,2-6H2,1H3
InChIKeyQECYOQPIALPLJE-UHFFFAOYSA-N
XLogP4.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.84
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119986603
2-chloro-5-cyano-N-(1-cyclopentylethyl)benzenesulfonamide
CID 80703898
2-chloro-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzenesulfonamide
CID 2412388
2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 78785998
3-bromo-4-chloro-N-(1-cyclohexylethyl)benzenesulfonamide
CID 106612198
3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 43240869
2-chloro-5-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 115752267
[2-(1-cyclopropylethylamino)-2-oxoethyl] 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate
CID 55399394
(2R)-2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-ethylpropanamide
CID 8802505
N-(2-amino-2-cyclopropylethyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120582799
2-[2-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylhydrazinyl]-N-cyclopropyl-2-oxoacetamide
CID 8841202
3-[[(1R)-1-cyclopentylethyl]sulfamoyl]-4-fluorobenzoic acid
CID 81389280

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-cyclohexylethyl)-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(1-cyclohexylethyl)-5-(trifluoromethyl)benzenesulfonamide (CID 3311116) is 2-chloro-N-(1-cyclohexylethyl)-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(1-cyclohexylethyl)-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(1-cyclohexylethyl)-5-(trifluoromethyl)benzenesulfonamide is CC(NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C1CCCCC1.
What is the InChIKey of 2-chloro-N-(1-cyclohexylethyl)-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is QECYOQPIALPLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF3NO2S/c1-10(11-5-3-2-4-6-11)20-23(21,22)14-9-12(15(17,18)19)7-8-13(14)16/h7-11,20H,2-6H2,1H3.
What are the key properties of 2-chloro-N-(1-cyclohexylethyl)-5-(trifluoromethyl)benzenesulfonamide?
2-chloro-N-(1-cyclohexylethyl)-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 369.84 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-cyclohexylethyl)-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 3311116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).