5-fluoro-1-(2,2,2-trifluoroethyl)indole-3-sulfonamide

C10H8F4N2O2S — CID 82696374

IUPAC5-fluoro-1-(2,2,2-trifluoroethyl)indole-3-sulfonamide
SMILESNS(=O)(=O)c1cn(CC(F)(F)F)c2ccc(F)cc12
InChIInChI=1S/C10H8F4N2O2S/c11-6-1-2-8-7(3-6)9(19(15,17)18)4-16(8)5-10(12,13)14/h1-4H,5H2,(H2,15,17,18)
InChIKeyPQQFCYOSVQDCRD-UHFFFAOYSA-N
MW296.25 g/mol
LogP1.99
Rot. Bonds2

About 5-fluoro-1-(2,2,2-trifluoroethyl)indole-3-sulfonamide

5-fluoro-1-(2,2,2-trifluoroethyl)indole-3-sulfonamide (PubChem CID 82696374) has the molecular formula C10H8F4N2O2S and a molecular weight of 296.25 g/mol. Its IUPAC name is 5-fluoro-1-(2,2,2-trifluoroethyl)indole-3-sulfonamide.

Molecular Properties

Compound Name5-fluoro-1-(2,2,2-trifluoroethyl)indole-3-sulfonamide
PubChem CID82696374
Molecular FormulaC10H8F4N2O2S
Molecular Weight296.25 g/mol
Exact Mass296.02
IUPAC Name5-fluoro-1-(2,2,2-trifluoroethyl)indole-3-sulfonamide
SMILESNS(=O)(=O)c1cn(CC(F)(F)F)c2ccc(F)cc12
InChIInChI=1S/C10H8F4N2O2S/c11-6-1-2-8-7(3-6)9(19(15,17)18)4-16(8)5-10(12,13)14/h1-4H,5H2,(H2,15,17,18)
InChIKeyPQQFCYOSVQDCRD-UHFFFAOYSA-N
XLogP1.99
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(2,2,2-trifluoroethyl)indole-3-sulfonamide?
The IUPAC name of 5-fluoro-1-(2,2,2-trifluoroethyl)indole-3-sulfonamide (CID 82696374) is 5-fluoro-1-(2,2,2-trifluoroethyl)indole-3-sulfonamide.
What is the SMILES notation for 5-fluoro-1-(2,2,2-trifluoroethyl)indole-3-sulfonamide?
The canonical SMILES for 5-fluoro-1-(2,2,2-trifluoroethyl)indole-3-sulfonamide is NS(=O)(=O)c1cn(CC(F)(F)F)c2ccc(F)cc12.
What is the InChIKey of 5-fluoro-1-(2,2,2-trifluoroethyl)indole-3-sulfonamide?
The InChIKey is PQQFCYOSVQDCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4N2O2S/c11-6-1-2-8-7(3-6)9(19(15,17)18)4-16(8)5-10(12,13)14/h1-4H,5H2,(H2,15,17,18).
What are the key properties of 5-fluoro-1-(2,2,2-trifluoroethyl)indole-3-sulfonamide?
5-fluoro-1-(2,2,2-trifluoroethyl)indole-3-sulfonamide has a molecular weight of 296.25 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2,2,2-trifluoroethyl)indole-3-sulfonamide is sourced from PubChem (CID 82696374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).