3-methyl-2-oxo-N-(2,2,2-trifluoroethoxy)-1,3-dihydroindole-5-sulfonamide

C11H11F3N2O4S — CID 82715676

IUPAC3-methyl-2-oxo-N-(2,2,2-trifluoroethoxy)-1,3-dihydroindole-5-sulfonamide
SMILESCC1C(=O)Nc2ccc(S(=O)(=O)NOCC(F)(F)F)cc21
InChIInChI=1S/C11H11F3N2O4S/c1-6-8-4-7(2-3-9(8)15-10(6)17)21(18,19)16-20-5-11(12,13)14/h2-4,6,16H,5H2,1H3,(H,15,17)
InChIKeyPXGMRUCWOSHDBY-UHFFFAOYSA-N
MW324.28 g/mol
LogP1.51
Rot. Bonds4

About 3-methyl-2-oxo-N-(2,2,2-trifluoroethoxy)-1,3-dihydroindole-5-sulfonamide

3-methyl-2-oxo-N-(2,2,2-trifluoroethoxy)-1,3-dihydroindole-5-sulfonamide (PubChem CID 82715676) has the molecular formula C11H11F3N2O4S and a molecular weight of 324.28 g/mol. Its IUPAC name is 3-methyl-2-oxo-N-(2,2,2-trifluoroethoxy)-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name3-methyl-2-oxo-N-(2,2,2-trifluoroethoxy)-1,3-dihydroindole-5-sulfonamide
PubChem CID82715676
Molecular FormulaC11H11F3N2O4S
Molecular Weight324.28 g/mol
Exact Mass324.04
IUPAC Name3-methyl-2-oxo-N-(2,2,2-trifluoroethoxy)-1,3-dihydroindole-5-sulfonamide
SMILESCC1C(=O)Nc2ccc(S(=O)(=O)NOCC(F)(F)F)cc21
InChIInChI=1S/C11H11F3N2O4S/c1-6-8-4-7(2-3-9(8)15-10(6)17)21(18,19)16-20-5-11(12,13)14/h2-4,6,16H,5H2,1H3,(H,15,17)
InChIKeyPXGMRUCWOSHDBY-UHFFFAOYSA-N
XLogP1.51
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.28
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-N-(2,2,2-trifluoroethoxy)-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of 3-methyl-2-oxo-N-(2,2,2-trifluoroethoxy)-1,3-dihydroindole-5-sulfonamide (CID 82715676) is 3-methyl-2-oxo-N-(2,2,2-trifluoroethoxy)-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 3-methyl-2-oxo-N-(2,2,2-trifluoroethoxy)-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 3-methyl-2-oxo-N-(2,2,2-trifluoroethoxy)-1,3-dihydroindole-5-sulfonamide is CC1C(=O)Nc2ccc(S(=O)(=O)NOCC(F)(F)F)cc21.
What is the InChIKey of 3-methyl-2-oxo-N-(2,2,2-trifluoroethoxy)-1,3-dihydroindole-5-sulfonamide?
The InChIKey is PXGMRUCWOSHDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O4S/c1-6-8-4-7(2-3-9(8)15-10(6)17)21(18,19)16-20-5-11(12,13)14/h2-4,6,16H,5H2,1H3,(H,15,17).
What are the key properties of 3-methyl-2-oxo-N-(2,2,2-trifluoroethoxy)-1,3-dihydroindole-5-sulfonamide?
3-methyl-2-oxo-N-(2,2,2-trifluoroethoxy)-1,3-dihydroindole-5-sulfonamide has a molecular weight of 324.28 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-N-(2,2,2-trifluoroethoxy)-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 82715676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).