2-(3-ethylcyclohexyl)sulfonyl-4-fluoroaniline

C14H20FNO2S — CID 81184032

IUPAC2-(3-ethylcyclohexyl)sulfonyl-4-fluoroaniline
SMILESCCC1CCCC(S(=O)(=O)c2cc(F)ccc2N)C1
InChIInChI=1S/C14H20FNO2S/c1-2-10-4-3-5-12(8-10)19(17,18)14-9-11(15)6-7-13(14)16/h6-7,9-10,12H,2-5,8,16H2,1H3
InChIKeyMAAZCGVCFNLPCM-UHFFFAOYSA-N
MW285.38 g/mol
LogP3.15
Rot. Bonds3

About 2-(3-ethylcyclohexyl)sulfonyl-4-fluoroaniline

2-(3-ethylcyclohexyl)sulfonyl-4-fluoroaniline (PubChem CID 81184032) has the molecular formula C14H20FNO2S and a molecular weight of 285.38 g/mol. Its IUPAC name is 2-(3-ethylcyclohexyl)sulfonyl-4-fluoroaniline.

Molecular Properties

Compound Name2-(3-ethylcyclohexyl)sulfonyl-4-fluoroaniline
PubChem CID81184032
Molecular FormulaC14H20FNO2S
Molecular Weight285.38 g/mol
Exact Mass285.12
IUPAC Name2-(3-ethylcyclohexyl)sulfonyl-4-fluoroaniline
SMILESCCC1CCCC(S(=O)(=O)c2cc(F)ccc2N)C1
InChIInChI=1S/C14H20FNO2S/c1-2-10-4-3-5-12(8-10)19(17,18)14-9-11(15)6-7-13(14)16/h6-7,9-10,12H,2-5,8,16H2,1H3
InChIKeyMAAZCGVCFNLPCM-UHFFFAOYSA-N
XLogP3.15
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-ethylcyclohexyl)sulfonyl-4-methylaniline
CID 81183239
4-fluoro-2-(3-methylcyclohexyl)sulfonylaniline
CID 81183010
2-(3-ethylcyclohexyl)sulfonyl-6-methylaniline
CID 81188953
2-amino-N-(cyclobutylmethyl)-N-ethyl-5-fluorobenzenesulfonamide
CID 107397005
4-(3-ethylcyclohexyl)sulfonyl-3-methoxyaniline
CID 81206562
3-(2,5-difluorophenyl)sulfonylcyclohexan-1-amine
CID 64716725
4-bromo-2-(3-methylsulfonylcyclohexyl)sulfonylaniline
CID 81201605
2-(2,5-difluorophenyl)sulfonyl-4-ethylcyclohexan-1-amine
CID 64645336
4-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfonyl)aniline
CID 81191909
4-fluoro-2-(2-propylpiperidin-1-yl)sulfonylaniline
CID 83052783
[1-(2,5-difluorophenyl)sulfonyl-4-ethylpiperidin-2-yl]methanamine
CID 103352759
2-chloro-4-(3-ethylcyclohexyl)sulfonylbenzoic acid
CID 107090458

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylcyclohexyl)sulfonyl-4-fluoroaniline?
The IUPAC name of 2-(3-ethylcyclohexyl)sulfonyl-4-fluoroaniline (CID 81184032) is 2-(3-ethylcyclohexyl)sulfonyl-4-fluoroaniline.
What is the SMILES notation for 2-(3-ethylcyclohexyl)sulfonyl-4-fluoroaniline?
The canonical SMILES for 2-(3-ethylcyclohexyl)sulfonyl-4-fluoroaniline is CCC1CCCC(S(=O)(=O)c2cc(F)ccc2N)C1.
What is the InChIKey of 2-(3-ethylcyclohexyl)sulfonyl-4-fluoroaniline?
The InChIKey is MAAZCGVCFNLPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2S/c1-2-10-4-3-5-12(8-10)19(17,18)14-9-11(15)6-7-13(14)16/h6-7,9-10,12H,2-5,8,16H2,1H3.
What are the key properties of 2-(3-ethylcyclohexyl)sulfonyl-4-fluoroaniline?
2-(3-ethylcyclohexyl)sulfonyl-4-fluoroaniline has a molecular weight of 285.38 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylcyclohexyl)sulfonyl-4-fluoroaniline is sourced from PubChem (CID 81184032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).