2-fluoro-N-[2-(2-methylbutylsulfonyl)ethyl]aniline

C13H20FNO2S — CID 107757559

IUPAC2-fluoro-N-[2-(2-methylbutylsulfonyl)ethyl]aniline
SMILESCCC(C)CS(=O)(=O)CCNc1ccccc1F
InChIInChI=1S/C13H20FNO2S/c1-3-11(2)10-18(16,17)9-8-15-13-7-5-4-6-12(13)14/h4-7,11,15H,3,8-10H2,1-2H3
InChIKeyRURUZDFGYCGWEY-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.70
Rot. Bonds7

About 2-fluoro-N-[2-(2-methylbutylsulfonyl)ethyl]aniline

2-fluoro-N-[2-(2-methylbutylsulfonyl)ethyl]aniline (PubChem CID 107757559) has the molecular formula C13H20FNO2S and a molecular weight of 273.37 g/mol. Its IUPAC name is 2-fluoro-N-[2-(2-methylbutylsulfonyl)ethyl]aniline.

Molecular Properties

Compound Name2-fluoro-N-[2-(2-methylbutylsulfonyl)ethyl]aniline
PubChem CID107757559
Molecular FormulaC13H20FNO2S
Molecular Weight273.37 g/mol
Exact Mass273.12
IUPAC Name2-fluoro-N-[2-(2-methylbutylsulfonyl)ethyl]aniline
SMILESCCC(C)CS(=O)(=O)CCNc1ccccc1F
InChIInChI=1S/C13H20FNO2S/c1-3-11(2)10-18(16,17)9-8-15-13-7-5-4-6-12(13)14/h4-7,11,15H,3,8-10H2,1-2H3
InChIKeyRURUZDFGYCGWEY-UHFFFAOYSA-N
XLogP2.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[2-(3-methylbutylsulfonyl)ethyl]aniline
CID 107757775
N-(1-ethylsulfonylpropan-2-yl)-2-fluoroaniline
CID 115921635
N-(2-fluorophenyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine
CID 55089691
N-methyl-2-(2-methylbutylsulfonyl)ethanamine
CID 107757585
N-(2-butan-2-yloxyethyl)-2-fluoroaniline
CID 62584548
N-ethyl-2-(2-methylbutylsulfonyl)ethanamine
CID 107757587
N-(3-ethylsulfonylpropyl)-2,3-difluoroaniline
CID 65092780
2-(2-fluoroanilino)-N-pentan-3-ylacetamide
CID 60671369
N-(2-fluorophenyl)propane-1-sulfonamide
CID 60640812
N'-butan-2-yl-N'-butyl-N-(2-fluorophenyl)ethane-1,2-diamine
CID 63502082
N-(2-fluorophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine
CID 62558241
2-bromo-N-[2-(3-methylbutylsulfonyl)ethyl]aniline
CID 107757762

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(2-methylbutylsulfonyl)ethyl]aniline?
The IUPAC name of 2-fluoro-N-[2-(2-methylbutylsulfonyl)ethyl]aniline (CID 107757559) is 2-fluoro-N-[2-(2-methylbutylsulfonyl)ethyl]aniline.
What is the SMILES notation for 2-fluoro-N-[2-(2-methylbutylsulfonyl)ethyl]aniline?
The canonical SMILES for 2-fluoro-N-[2-(2-methylbutylsulfonyl)ethyl]aniline is CCC(C)CS(=O)(=O)CCNc1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-(2-methylbutylsulfonyl)ethyl]aniline?
The InChIKey is RURUZDFGYCGWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2S/c1-3-11(2)10-18(16,17)9-8-15-13-7-5-4-6-12(13)14/h4-7,11,15H,3,8-10H2,1-2H3.
What are the key properties of 2-fluoro-N-[2-(2-methylbutylsulfonyl)ethyl]aniline?
2-fluoro-N-[2-(2-methylbutylsulfonyl)ethyl]aniline has a molecular weight of 273.37 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(2-methylbutylsulfonyl)ethyl]aniline is sourced from PubChem (CID 107757559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).