2-(1-ethyl-1,3-dihydroisoindol-2-yl)-6-fluoro-4-methylbenzenesulfonamide

C17H19FN2O2S — CID 166257616

IUPAC2-(1-ethyl-1,3-dihydroisoindol-2-yl)-6-fluoro-4-methylbenzenesulfonamide
SMILESCCC1c2ccccc2CN1c1cc(C)cc(F)c1S(N)(=O)=O
InChIInChI=1S/C17H19FN2O2S/c1-3-15-13-7-5-4-6-12(13)10-20(15)16-9-11(2)8-14(18)17(16)23(19,21)22/h4-9,15H,3,10H2,1-2H3,(H2,19,21,22)
InChIKeyGLLKNOGDTZAXOA-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.25
Rot. Bonds3

About 2-(1-ethyl-1,3-dihydroisoindol-2-yl)-6-fluoro-4-methylbenzenesulfonamide

2-(1-ethyl-1,3-dihydroisoindol-2-yl)-6-fluoro-4-methylbenzenesulfonamide (PubChem CID 166257616) has the molecular formula C17H19FN2O2S and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-(1-ethyl-1,3-dihydroisoindol-2-yl)-6-fluoro-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-(1-ethyl-1,3-dihydroisoindol-2-yl)-6-fluoro-4-methylbenzenesulfonamide
PubChem CID166257616
Molecular FormulaC17H19FN2O2S
Molecular Weight334.42 g/mol
Exact Mass334.12
IUPAC Name2-(1-ethyl-1,3-dihydroisoindol-2-yl)-6-fluoro-4-methylbenzenesulfonamide
SMILESCCC1c2ccccc2CN1c1cc(C)cc(F)c1S(N)(=O)=O
InChIInChI=1S/C17H19FN2O2S/c1-3-15-13-7-5-4-6-12(13)10-20(15)16-9-11(2)8-14(18)17(16)23(19,21)22/h4-9,15H,3,10H2,1-2H3,(H2,19,21,22)
InChIKeyGLLKNOGDTZAXOA-UHFFFAOYSA-N
XLogP3.25
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Butyl-N-(2,3-dihydro-1H-isoindol-5-yl)benzene-1-sulfonamide
CID 44425698
4-Butyl-N-(2-methyl-2,3-dihydro-1H-isoindol-5-yl)benzene-1-sulfonamide
CID 44425699
2-(Benzenesulfonyl)-4-(4-methylpiperazin-1-yl)-1,3-dihydroisoindole
CID 142592111
2-(Benzenesulfonyl)-5-(4-cyclobutylpiperazin-1-yl)-1,3-dihydroisoindole
CID 155541808
2-(Benzenesulfonyl)-4-(4-propylpiperazin-1-yl)-1,3-dihydroisoindole
CID 155548127
2-(Benzenesulfonyl)-4-(4-ethylpiperazin-1-yl)-1,3-dihydroisoindole
CID 155550580
2-(Benzenesulfonyl)-5-(4-ethylpiperazin-1-yl)-1,3-dihydroisoindole
CID 155552989
1-(Benzenesulfonyl)-4-(1-propylpiperidin-4-yl)-2,3-dihydroindole
CID 155553745
2-(Benzenesulfonyl)-5-(4-propylpiperazin-1-yl)-1,3-dihydroisoindole
CID 155557986
1-(Benzenesulfonyl)-4-(1-cyclobutylpiperidin-4-yl)-2,3-dihydroindole
CID 155561102
1-(Benzenesulfonyl)-4-(1-methylpiperidin-4-yl)-2,3-dihydroindole
CID 155562755
1-(Benzenesulfonyl)-4-(1-ethylpiperidin-4-yl)-2,3-dihydroindole
CID 155567666

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-1,3-dihydroisoindol-2-yl)-6-fluoro-4-methylbenzenesulfonamide?
The IUPAC name of 2-(1-ethyl-1,3-dihydroisoindol-2-yl)-6-fluoro-4-methylbenzenesulfonamide (CID 166257616) is 2-(1-ethyl-1,3-dihydroisoindol-2-yl)-6-fluoro-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-(1-ethyl-1,3-dihydroisoindol-2-yl)-6-fluoro-4-methylbenzenesulfonamide?
The canonical SMILES for 2-(1-ethyl-1,3-dihydroisoindol-2-yl)-6-fluoro-4-methylbenzenesulfonamide is CCC1c2ccccc2CN1c1cc(C)cc(F)c1S(N)(=O)=O.
What is the InChIKey of 2-(1-ethyl-1,3-dihydroisoindol-2-yl)-6-fluoro-4-methylbenzenesulfonamide?
The InChIKey is GLLKNOGDTZAXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2S/c1-3-15-13-7-5-4-6-12(13)10-20(15)16-9-11(2)8-14(18)17(16)23(19,21)22/h4-9,15H,3,10H2,1-2H3,(H2,19,21,22).
What are the key properties of 2-(1-ethyl-1,3-dihydroisoindol-2-yl)-6-fluoro-4-methylbenzenesulfonamide?
2-(1-ethyl-1,3-dihydroisoindol-2-yl)-6-fluoro-4-methylbenzenesulfonamide has a molecular weight of 334.42 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-1,3-dihydroisoindol-2-yl)-6-fluoro-4-methylbenzenesulfonamide is sourced from PubChem (CID 166257616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).