1-ethylsulfonyl-5-fluoro-2,3-dihydroindole

C10H12FNO2S — CID 110713992

IUPAC1-ethylsulfonyl-5-fluoro-2,3-dihydroindole
SMILESCCS(=O)(=O)N1CCc2cc(F)ccc21
InChIInChI=1S/C10H12FNO2S/c1-2-15(13,14)12-6-5-8-7-9(11)3-4-10(8)12/h3-4,7H,2,5-6H2,1H3
InChIKeyVENIDDGCDYHUJD-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.54
Rot. Bonds2

About 1-ethylsulfonyl-5-fluoro-2,3-dihydroindole

1-ethylsulfonyl-5-fluoro-2,3-dihydroindole (PubChem CID 110713992) has the molecular formula C10H12FNO2S and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-ethylsulfonyl-5-fluoro-2,3-dihydroindole.

Molecular Properties

Compound Name1-ethylsulfonyl-5-fluoro-2,3-dihydroindole
PubChem CID110713992
Molecular FormulaC10H12FNO2S
Molecular Weight229.28 g/mol
Exact Mass229.06
IUPAC Name1-ethylsulfonyl-5-fluoro-2,3-dihydroindole
SMILESCCS(=O)(=O)N1CCc2cc(F)ccc21
InChIInChI=1S/C10H12FNO2S/c1-2-15(13,14)12-6-5-8-7-9(11)3-4-10(8)12/h3-4,7H,2,5-6H2,1H3
InChIKeyVENIDDGCDYHUJD-UHFFFAOYSA-N
XLogP1.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-1-propylsulfonyl-3,4-dihydro-2H-quinoline
CID 110714234
5-(2,4-difluorophenoxy)-1-ethylsulfonyl-2,3-dihydroindol-6-ol
CID 167433379
1-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(4-fluorophenyl)urea
CID 30374225
5-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 3575663
4-[(1-ethylsulfonyl-2,3-dihydroindol-5-yl)sulfonyl]morpholine
CID 19258973
1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone
CID 7561237
5-iodo-1-propylsulfonyl-2,3-dihydroindole
CID 129452194
[2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 8517688
2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]ethanamine
CID 103495195
1-(2,4-dimethoxyphenyl)sulfonyl-5-fluoro-2,3-dihydroindole
CID 110714003
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-fluorobenzamide
CID 27656132
1-(3-chloro-2-methylpropyl)sulfonyl-6-fluoro-2,3-dihydroindole
CID 113249349

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-5-fluoro-2,3-dihydroindole?
The IUPAC name of 1-ethylsulfonyl-5-fluoro-2,3-dihydroindole (CID 110713992) is 1-ethylsulfonyl-5-fluoro-2,3-dihydroindole.
What is the SMILES notation for 1-ethylsulfonyl-5-fluoro-2,3-dihydroindole?
The canonical SMILES for 1-ethylsulfonyl-5-fluoro-2,3-dihydroindole is CCS(=O)(=O)N1CCc2cc(F)ccc21.
What is the InChIKey of 1-ethylsulfonyl-5-fluoro-2,3-dihydroindole?
The InChIKey is VENIDDGCDYHUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2S/c1-2-15(13,14)12-6-5-8-7-9(11)3-4-10(8)12/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 1-ethylsulfonyl-5-fluoro-2,3-dihydroindole?
1-ethylsulfonyl-5-fluoro-2,3-dihydroindole has a molecular weight of 229.28 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-5-fluoro-2,3-dihydroindole is sourced from PubChem (CID 110713992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).