1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-5-sulfonamide

C10H9F3N2O3S — CID 57047254

IUPAC1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(F)(F)F
InChIInChI=1S/C10H9F3N2O3S/c11-10(12,13)9(16)15-4-3-6-5-7(19(14,17)18)1-2-8(6)15/h1-2,5H,3-4H2,(H2,14,17,18)
InChIKeyAHOWPOTYALGCNI-UHFFFAOYSA-N
MW294.25 g/mol
LogP0.79
Rot. Bonds1

About 1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-5-sulfonamide

1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 57047254) has the molecular formula C10H9F3N2O3S and a molecular weight of 294.25 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID57047254
Molecular FormulaC10H9F3N2O3S
Molecular Weight294.25 g/mol
Exact Mass294.03
IUPAC Name1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(F)(F)F
InChIInChI=1S/C10H9F3N2O3S/c11-10(12,13)9(16)15-4-3-6-5-7(19(14,17)18)1-2-8(6)15/h1-2,5H,3-4H2,(H2,14,17,18)
InChIKeyAHOWPOTYALGCNI-UHFFFAOYSA-N
XLogP0.79
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2,2-trifluoroacetyl)-1,2-dihydrobenzo[e]indole-8-sulfonamide
CID 86620262
ethane;1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinoline-6-sulfonyl chloride
CID 143531326
1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide
CID 60698789
1-but-3-enoyl-2,3-dihydroindole-5-sulfonamide
CID 62678193
1-(2,2-dimethylcyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 107002948
1-hexanoyl-2,3-dihydroindole-5-sulfonamide
CID 60723591
1-[5-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-2,2,2-trifluoroethanone
CID 129193717
1-(2-phenylsulfanylacetyl)-2,3-dihydroindole-5-sulfonamide
CID 71060712
1-(5-bromothiophene-3-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 107965281
1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 79807783
1-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 35171895
1-(4-chloro-1H-pyrrole-2-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 60698896

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-5-sulfonamide (CID 57047254) is 1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-5-sulfonamide is NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is AHOWPOTYALGCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O3S/c11-10(12,13)9(16)15-4-3-6-5-7(19(14,17)18)1-2-8(6)15/h1-2,5H,3-4H2,(H2,14,17,18).
What are the key properties of 1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-5-sulfonamide?
1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 294.25 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 57047254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).