5-chloro-1-(trifluoromethylsulfonyl)-2,3-dihydroindole

C9H7ClF3NO2S — CID 135059404

IUPAC5-chloro-1-(trifluoromethylsulfonyl)-2,3-dihydroindole
SMILESO=S(=O)(N1CCc2cc(Cl)ccc21)C(F)(F)F
InChIInChI=1S/C9H7ClF3NO2S/c10-7-1-2-8-6(5-7)3-4-14(8)17(15,16)9(11,12)13/h1-2,5H,3-4H2
InChIKeyKTIHLXUNGPXHJR-UHFFFAOYSA-N
MW285.67 g/mol
LogP2.55
Rot. Bonds1

About 5-chloro-1-(trifluoromethylsulfonyl)-2,3-dihydroindole

5-chloro-1-(trifluoromethylsulfonyl)-2,3-dihydroindole (PubChem CID 135059404) has the molecular formula C9H7ClF3NO2S and a molecular weight of 285.67 g/mol. Its IUPAC name is 5-chloro-1-(trifluoromethylsulfonyl)-2,3-dihydroindole.

Molecular Properties

Compound Name5-chloro-1-(trifluoromethylsulfonyl)-2,3-dihydroindole
PubChem CID135059404
Molecular FormulaC9H7ClF3NO2S
Molecular Weight285.67 g/mol
Exact Mass284.98
IUPAC Name5-chloro-1-(trifluoromethylsulfonyl)-2,3-dihydroindole
SMILESO=S(=O)(N1CCc2cc(Cl)ccc21)C(F)(F)F
InChIInChI=1S/C9H7ClF3NO2S/c10-7-1-2-8-6(5-7)3-4-14(8)17(15,16)9(11,12)13/h1-2,5H,3-4H2
InChIKeyKTIHLXUNGPXHJR-UHFFFAOYSA-N
XLogP2.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.67
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(trifluoromethylsulfonyl)-2,3-dihydroindole?
The IUPAC name of 5-chloro-1-(trifluoromethylsulfonyl)-2,3-dihydroindole (CID 135059404) is 5-chloro-1-(trifluoromethylsulfonyl)-2,3-dihydroindole.
What is the SMILES notation for 5-chloro-1-(trifluoromethylsulfonyl)-2,3-dihydroindole?
The canonical SMILES for 5-chloro-1-(trifluoromethylsulfonyl)-2,3-dihydroindole is O=S(=O)(N1CCc2cc(Cl)ccc21)C(F)(F)F.
What is the InChIKey of 5-chloro-1-(trifluoromethylsulfonyl)-2,3-dihydroindole?
The InChIKey is KTIHLXUNGPXHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3NO2S/c10-7-1-2-8-6(5-7)3-4-14(8)17(15,16)9(11,12)13/h1-2,5H,3-4H2.
What are the key properties of 5-chloro-1-(trifluoromethylsulfonyl)-2,3-dihydroindole?
5-chloro-1-(trifluoromethylsulfonyl)-2,3-dihydroindole has a molecular weight of 285.67 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(trifluoromethylsulfonyl)-2,3-dihydroindole is sourced from PubChem (CID 135059404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).