1-(2-fluorophenyl)sulfonyl-2,3,3a,4,5,6,7,7a-octahydroindole

C14H18FNO2S — CID 78989322

IUPAC1-(2-fluorophenyl)sulfonyl-2,3,3a,4,5,6,7,7a-octahydroindole
SMILESO=S(=O)(c1ccccc1F)N1CCC2CCCCC21
InChIInChI=1S/C14H18FNO2S/c15-12-6-2-4-8-14(12)19(17,18)16-10-9-11-5-1-3-7-13(11)16/h2,4,6,8,11,13H,1,3,5,7,9-10H2
InChIKeyXHJSRMRWFONPDJ-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.78
Rot. Bonds2

About 1-(2-fluorophenyl)sulfonyl-2,3,3a,4,5,6,7,7a-octahydroindole

1-(2-fluorophenyl)sulfonyl-2,3,3a,4,5,6,7,7a-octahydroindole (PubChem CID 78989322) has the molecular formula C14H18FNO2S and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfonyl-2,3,3a,4,5,6,7,7a-octahydroindole.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfonyl-2,3,3a,4,5,6,7,7a-octahydroindole
PubChem CID78989322
Molecular FormulaC14H18FNO2S
Molecular Weight283.37 g/mol
Exact Mass283.10
IUPAC Name1-(2-fluorophenyl)sulfonyl-2,3,3a,4,5,6,7,7a-octahydroindole
SMILESO=S(=O)(c1ccccc1F)N1CCC2CCCCC21
InChIInChI=1S/C14H18FNO2S/c15-12-6-2-4-8-14(12)19(17,18)16-10-9-11-5-1-3-7-13(11)16/h2,4,6,8,11,13H,1,3,5,7,9-10H2
InChIKeyXHJSRMRWFONPDJ-UHFFFAOYSA-N
XLogP2.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-fluorophenyl)sulfonyl-2,3,3a,4,5,6,7,7a-octahydroindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclohexyl-1-(2-fluorophenyl)sulfonylpyrrolidine
CID 61045786
(4aS,8aS)-2-(2-fluorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 11926572
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-2,6-difluoroaniline
CID 107343760
1-(2-bromophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 47104020
1-(4-bromo-2-fluorophenyl)sulfonyl-2-cyclopentylpyrrolidine
CID 116528534
[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-6-fluorophenyl]methanamine
CID 65319473
2-[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]cyclopentan-1-one
CID 79539689
1-cyclopentyl-4-(2-fluorophenyl)sulfonylpiperazine
CID 45369149
[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)phenyl]hydrazine
CID 43628435
1-(2-fluorophenyl)sulfonyl-2,3-dimethylpiperidine
CID 62122855
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-3,5-difluoroaniline
CID 82751721
1-(2-fluorophenyl)sulfonyl-2-propylpiperidine
CID 83052559

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfonyl-2,3,3a,4,5,6,7,7a-octahydroindole?
The IUPAC name of 1-(2-fluorophenyl)sulfonyl-2,3,3a,4,5,6,7,7a-octahydroindole (CID 78989322) is 1-(2-fluorophenyl)sulfonyl-2,3,3a,4,5,6,7,7a-octahydroindole.
What is the SMILES notation for 1-(2-fluorophenyl)sulfonyl-2,3,3a,4,5,6,7,7a-octahydroindole?
The canonical SMILES for 1-(2-fluorophenyl)sulfonyl-2,3,3a,4,5,6,7,7a-octahydroindole is O=S(=O)(c1ccccc1F)N1CCC2CCCCC21.
What is the InChIKey of 1-(2-fluorophenyl)sulfonyl-2,3,3a,4,5,6,7,7a-octahydroindole?
The InChIKey is XHJSRMRWFONPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2S/c15-12-6-2-4-8-14(12)19(17,18)16-10-9-11-5-1-3-7-13(11)16/h2,4,6,8,11,13H,1,3,5,7,9-10H2.
What are the key properties of 1-(2-fluorophenyl)sulfonyl-2,3,3a,4,5,6,7,7a-octahydroindole?
1-(2-fluorophenyl)sulfonyl-2,3,3a,4,5,6,7,7a-octahydroindole has a molecular weight of 283.37 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfonyl-2,3,3a,4,5,6,7,7a-octahydroindole is sourced from PubChem (CID 78989322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).