N-(2-cyclohexylsulfonylethyl)-4-fluoroaniline

C14H20FNO2S — CID 106513016

IUPACN-(2-cyclohexylsulfonylethyl)-4-fluoroaniline
SMILESO=S(=O)(CCNc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C14H20FNO2S/c15-12-6-8-13(9-7-12)16-10-11-19(17,18)14-4-2-1-3-5-14/h6-9,14,16H,1-5,10-11H2
InChIKeyJEGWLGORTQWEHK-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.99
Rot. Bonds5

About N-(2-cyclohexylsulfonylethyl)-4-fluoroaniline

N-(2-cyclohexylsulfonylethyl)-4-fluoroaniline (PubChem CID 106513016) has the molecular formula C14H20FNO2S and a molecular weight of 285.38 g/mol. Its IUPAC name is N-(2-cyclohexylsulfonylethyl)-4-fluoroaniline.

Molecular Properties

Compound NameN-(2-cyclohexylsulfonylethyl)-4-fluoroaniline
PubChem CID106513016
Molecular FormulaC14H20FNO2S
Molecular Weight285.38 g/mol
Exact Mass285.12
IUPAC NameN-(2-cyclohexylsulfonylethyl)-4-fluoroaniline
SMILESO=S(=O)(CCNc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C14H20FNO2S/c15-12-6-8-13(9-7-12)16-10-11-19(17,18)14-4-2-1-3-5-14/h6-9,14,16H,1-5,10-11H2
InChIKeyJEGWLGORTQWEHK-UHFFFAOYSA-N
XLogP2.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluoroanilino)ethanesulfonamide
CID 114384672
N-(2-cyclohexylsulfonylethyl)propan-2-amine
CID 64676192
2-cyclopentylsulfonyl-N-methylethanamine
CID 64673517
3-cyclopentylsulfonyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
CID 87016892
N-[3-(4-fluorophenyl)prop-2-ynyl]cyclohexanesulfonamide
CID 90552796
4-fluoro-N-[2-(4-methylphenyl)sulfonylethyl]aniline
CID 106512341
N-cyclopentyl-4-[(4-fluorophenyl)methylamino]benzenesulfonamide
CID 119044383
3-cyclopentylsulfonyl-N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]propanamide
CID 55755956
N-[5-(3-cyclopentylsulfonylpropanoylamino)-2-fluorophenyl]cyclohexanecarboxamide
CID 47047282
2-cyclohexylsulfonyl-1-(2,4-difluorophenyl)ethanone
CID 64636932
N-(4-fluorophenyl)piperidine-3-sulfonamide
CID 24705038
N-(3-cyclohexylsulfonylpropyl)cyclohexanamine
CID 106513012

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylsulfonylethyl)-4-fluoroaniline?
The IUPAC name of N-(2-cyclohexylsulfonylethyl)-4-fluoroaniline (CID 106513016) is N-(2-cyclohexylsulfonylethyl)-4-fluoroaniline.
What is the SMILES notation for N-(2-cyclohexylsulfonylethyl)-4-fluoroaniline?
The canonical SMILES for N-(2-cyclohexylsulfonylethyl)-4-fluoroaniline is O=S(=O)(CCNc1ccc(F)cc1)C1CCCCC1.
What is the InChIKey of N-(2-cyclohexylsulfonylethyl)-4-fluoroaniline?
The InChIKey is JEGWLGORTQWEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2S/c15-12-6-8-13(9-7-12)16-10-11-19(17,18)14-4-2-1-3-5-14/h6-9,14,16H,1-5,10-11H2.
What are the key properties of N-(2-cyclohexylsulfonylethyl)-4-fluoroaniline?
N-(2-cyclohexylsulfonylethyl)-4-fluoroaniline has a molecular weight of 285.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylsulfonylethyl)-4-fluoroaniline is sourced from PubChem (CID 106513016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).