1-[2-[2-(trifluoromethyl)phenoxy]propanoyl]-2,3-dihydroindole-6-sulfonamide

C18H17F3N2O4S — CID 86973604

IUPAC1-[2-[2-(trifluoromethyl)phenoxy]propanoyl]-2,3-dihydroindole-6-sulfonamide
SMILESCC(Oc1ccccc1C(F)(F)F)C(=O)N1CCc2ccc(S(N)(=O)=O)cc21
InChIInChI=1S/C18H17F3N2O4S/c1-11(27-16-5-3-2-4-14(16)18(19,20)21)17(24)23-9-8-12-6-7-13(10-15(12)23)28(22,25)26/h2-7,10-11H,8-9H2,1H3,(H2,22,25,26)
InChIKeyPQMLEGIWEVVYGE-UHFFFAOYSA-N
MW414.41 g/mol
LogP2.71
Rot. Bonds4

About 1-[2-[2-(trifluoromethyl)phenoxy]propanoyl]-2,3-dihydroindole-6-sulfonamide

1-[2-[2-(trifluoromethyl)phenoxy]propanoyl]-2,3-dihydroindole-6-sulfonamide (PubChem CID 86973604) has the molecular formula C18H17F3N2O4S and a molecular weight of 414.41 g/mol. Its IUPAC name is 1-[2-[2-(trifluoromethyl)phenoxy]propanoyl]-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name1-[2-[2-(trifluoromethyl)phenoxy]propanoyl]-2,3-dihydroindole-6-sulfonamide
PubChem CID86973604
Molecular FormulaC18H17F3N2O4S
Molecular Weight414.41 g/mol
Exact Mass414.09
IUPAC Name1-[2-[2-(trifluoromethyl)phenoxy]propanoyl]-2,3-dihydroindole-6-sulfonamide
SMILESCC(Oc1ccccc1C(F)(F)F)C(=O)N1CCc2ccc(S(N)(=O)=O)cc21
InChIInChI=1S/C18H17F3N2O4S/c1-11(27-16-5-3-2-4-14(16)18(19,20)21)17(24)23-9-8-12-6-7-13(10-15(12)23)28(22,25)26/h2-7,10-11H,8-9H2,1H3,(H2,22,25,26)
InChIKeyPQMLEGIWEVVYGE-UHFFFAOYSA-N
XLogP2.71
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-methoxy-5-sulfamoylbenzoate
CID 7890652
1-(2,3-dihydroindol-1-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 4943179
(2R)-2-(2-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 7425461
1-[2-(2-chlorophenoxy)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 132663330
1-[(2R)-2-(2-chlorophenoxy)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 39641255
1-(3-aminopyrrolidin-1-yl)-2-[2-(trifluoromethyl)phenoxy]propan-1-one
CID 119482866
1-[(2R)-2-[2-(trifluoromethyl)phenoxy]propanoyl]piperidine-4-carboxamide
CID 95289341
(2R)-2-(2,3-dichlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 2708811
1-[2-[2-(trifluoromethyl)phenoxy]propanoyl]piperidine-4-carboxylic acid
CID 167933952
1-[4-(methylamino)piperidin-1-yl]-2-[2-(trifluoromethyl)phenoxy]propan-1-one
CID 119562344
(2S)-1-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-2-[2-(trifluoromethyl)phenoxy]propan-1-one
CID 95383373
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 4943207

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(trifluoromethyl)phenoxy]propanoyl]-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 1-[2-[2-(trifluoromethyl)phenoxy]propanoyl]-2,3-dihydroindole-6-sulfonamide (CID 86973604) is 1-[2-[2-(trifluoromethyl)phenoxy]propanoyl]-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 1-[2-[2-(trifluoromethyl)phenoxy]propanoyl]-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 1-[2-[2-(trifluoromethyl)phenoxy]propanoyl]-2,3-dihydroindole-6-sulfonamide is CC(Oc1ccccc1C(F)(F)F)C(=O)N1CCc2ccc(S(N)(=O)=O)cc21.
What is the InChIKey of 1-[2-[2-(trifluoromethyl)phenoxy]propanoyl]-2,3-dihydroindole-6-sulfonamide?
The InChIKey is PQMLEGIWEVVYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O4S/c1-11(27-16-5-3-2-4-14(16)18(19,20)21)17(24)23-9-8-12-6-7-13(10-15(12)23)28(22,25)26/h2-7,10-11H,8-9H2,1H3,(H2,22,25,26).
What are the key properties of 1-[2-[2-(trifluoromethyl)phenoxy]propanoyl]-2,3-dihydroindole-6-sulfonamide?
1-[2-[2-(trifluoromethyl)phenoxy]propanoyl]-2,3-dihydroindole-6-sulfonamide has a molecular weight of 414.41 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(trifluoromethyl)phenoxy]propanoyl]-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 86973604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).