2-ethoxy-4-fluoro-N-(2-methylsulfonylcyclopentyl)aniline

C14H20FNO3S — CID 65044191

IUPAC2-ethoxy-4-fluoro-N-(2-methylsulfonylcyclopentyl)aniline
SMILESCCOc1cc(F)ccc1NC1CCCC1S(C)(=O)=O
InChIInChI=1S/C14H20FNO3S/c1-3-19-13-9-10(15)7-8-11(13)16-12-5-4-6-14(12)20(2,17)18/h7-9,12,14,16H,3-6H2,1-2H3
InChIKeyCIHVSQVSXSPXKW-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.60
Rot. Bonds5

About 2-ethoxy-4-fluoro-N-(2-methylsulfonylcyclopentyl)aniline

2-ethoxy-4-fluoro-N-(2-methylsulfonylcyclopentyl)aniline (PubChem CID 65044191) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is 2-ethoxy-4-fluoro-N-(2-methylsulfonylcyclopentyl)aniline.

Molecular Properties

Compound Name2-ethoxy-4-fluoro-N-(2-methylsulfonylcyclopentyl)aniline
PubChem CID65044191
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name2-ethoxy-4-fluoro-N-(2-methylsulfonylcyclopentyl)aniline
SMILESCCOc1cc(F)ccc1NC1CCCC1S(C)(=O)=O
InChIInChI=1S/C14H20FNO3S/c1-3-19-13-9-10(15)7-8-11(13)16-12-5-4-6-14(12)20(2,17)18/h7-9,12,14,16H,3-6H2,1-2H3
InChIKeyCIHVSQVSXSPXKW-UHFFFAOYSA-N
XLogP2.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-fluoro-N-(2-methylsulfonylcyclopentyl)aniline?
The IUPAC name of 2-ethoxy-4-fluoro-N-(2-methylsulfonylcyclopentyl)aniline (CID 65044191) is 2-ethoxy-4-fluoro-N-(2-methylsulfonylcyclopentyl)aniline.
What is the SMILES notation for 2-ethoxy-4-fluoro-N-(2-methylsulfonylcyclopentyl)aniline?
The canonical SMILES for 2-ethoxy-4-fluoro-N-(2-methylsulfonylcyclopentyl)aniline is CCOc1cc(F)ccc1NC1CCCC1S(C)(=O)=O.
What is the InChIKey of 2-ethoxy-4-fluoro-N-(2-methylsulfonylcyclopentyl)aniline?
The InChIKey is CIHVSQVSXSPXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3S/c1-3-19-13-9-10(15)7-8-11(13)16-12-5-4-6-14(12)20(2,17)18/h7-9,12,14,16H,3-6H2,1-2H3.
What are the key properties of 2-ethoxy-4-fluoro-N-(2-methylsulfonylcyclopentyl)aniline?
2-ethoxy-4-fluoro-N-(2-methylsulfonylcyclopentyl)aniline has a molecular weight of 301.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-fluoro-N-(2-methylsulfonylcyclopentyl)aniline is sourced from PubChem (CID 65044191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).