3,4-difluoro-N-(2-propylsulfonylethyl)aniline

C11H15F2NO2S — CID 106723062

IUPAC3,4-difluoro-N-(2-propylsulfonylethyl)aniline
SMILESCCCS(=O)(=O)CCNc1ccc(F)c(F)c1
InChIInChI=1S/C11H15F2NO2S/c1-2-6-17(15,16)7-5-14-9-3-4-10(12)11(13)8-9/h3-4,8,14H,2,5-7H2,1H3
InChIKeyLNLHLOLWQUGDQO-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.20
Rot. Bonds6

About 3,4-difluoro-N-(2-propylsulfonylethyl)aniline

3,4-difluoro-N-(2-propylsulfonylethyl)aniline (PubChem CID 106723062) has the molecular formula C11H15F2NO2S and a molecular weight of 263.31 g/mol. Its IUPAC name is 3,4-difluoro-N-(2-propylsulfonylethyl)aniline.

Molecular Properties

Compound Name3,4-difluoro-N-(2-propylsulfonylethyl)aniline
PubChem CID106723062
Molecular FormulaC11H15F2NO2S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC Name3,4-difluoro-N-(2-propylsulfonylethyl)aniline
SMILESCCCS(=O)(=O)CCNc1ccc(F)c(F)c1
InChIInChI=1S/C11H15F2NO2S/c1-2-6-17(15,16)7-5-14-9-3-4-10(12)11(13)8-9/h3-4,8,14H,2,5-7H2,1H3
InChIKeyLNLHLOLWQUGDQO-UHFFFAOYSA-N
XLogP2.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2-propylsulfonylethyl)aniline
CID 106513312
2-methyl-5-(2-propylsulfonylethylamino)isoindole-1,3-dione
CID 106722966
3-fluoro-5-methyl-N-(2-propylsulfonylethyl)aniline
CID 106723957
5-(2-ethylsulfonylethylamino)-2-fluorobenzonitrile
CID 62316635
2,2-difluoro-N-(2-propylsulfonylethyl)-1,3-benzodioxol-5-amine
CID 106723033
4-butyl-N-(2-propylsulfonylethyl)aniline
CID 106723202
4-propan-2-yloxy-N-(2-propylsulfonylethyl)aniline
CID 106723145
4-bromo-3,5-dimethyl-N-(2-propylsulfonylethyl)aniline
CID 107573637
2,3,4,5,6-pentafluoro-N-(2-propylsulfonylethyl)aniline
CID 106724196
N'-tert-butyl-N-(3,4-difluorophenyl)ethane-1,2-diamine
CID 107444543
3-(3,4-difluoroanilino)-N,N-dipropylpropanamide
CID 109033102
6-methoxy-N-(2-propylsulfonylethyl)pyridin-3-amine
CID 106722892

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(2-propylsulfonylethyl)aniline?
The IUPAC name of 3,4-difluoro-N-(2-propylsulfonylethyl)aniline (CID 106723062) is 3,4-difluoro-N-(2-propylsulfonylethyl)aniline.
What is the SMILES notation for 3,4-difluoro-N-(2-propylsulfonylethyl)aniline?
The canonical SMILES for 3,4-difluoro-N-(2-propylsulfonylethyl)aniline is CCCS(=O)(=O)CCNc1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-(2-propylsulfonylethyl)aniline?
The InChIKey is LNLHLOLWQUGDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO2S/c1-2-6-17(15,16)7-5-14-9-3-4-10(12)11(13)8-9/h3-4,8,14H,2,5-7H2,1H3.
What are the key properties of 3,4-difluoro-N-(2-propylsulfonylethyl)aniline?
3,4-difluoro-N-(2-propylsulfonylethyl)aniline has a molecular weight of 263.31 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(2-propylsulfonylethyl)aniline is sourced from PubChem (CID 106723062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).