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

C10H9F3N2O4S — CID 82715697

IUPAC2-oxo-N-(2,2,2-trifluoroethoxy)-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)NOCC(F)(F)F)ccc2N1
InChIInChI=1S/C10H9F3N2O4S/c11-10(12,13)5-19-15-20(17,18)7-1-2-8-6(3-7)4-9(16)14-8/h1-3,15H,4-5H2,(H,14,16)
InChIKeyICLGHYMRPOJHAX-UHFFFAOYSA-N
MW310.25 g/mol
LogP0.95
Rot. Bonds4

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

2-oxo-N-(2,2,2-trifluoroethoxy)-1,3-dihydroindole-5-sulfonamide (PubChem CID 82715697) has the molecular formula C10H9F3N2O4S and a molecular weight of 310.25 g/mol. Its IUPAC name is 2-oxo-N-(2,2,2-trifluoroethoxy)-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-(2,2,2-trifluoroethoxy)-1,3-dihydroindole-5-sulfonamide
PubChem CID82715697
Molecular FormulaC10H9F3N2O4S
Molecular Weight310.25 g/mol
Exact Mass310.02
IUPAC Name2-oxo-N-(2,2,2-trifluoroethoxy)-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)NOCC(F)(F)F)ccc2N1
InChIInChI=1S/C10H9F3N2O4S/c11-10(12,13)5-19-15-20(17,18)7-1-2-8-6(3-7)4-9(16)14-8/h1-3,15H,4-5H2,(H,14,16)
InChIKeyICLGHYMRPOJHAX-UHFFFAOYSA-N
XLogP0.95
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.25
LogP ≤ 50.95
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 2-oxo-N-(2,2,2-trifluoroethoxy)-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of 2-oxo-N-(2,2,2-trifluoroethoxy)-1,3-dihydroindole-5-sulfonamide (CID 82715697) is 2-oxo-N-(2,2,2-trifluoroethoxy)-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 2-oxo-N-(2,2,2-trifluoroethoxy)-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 2-oxo-N-(2,2,2-trifluoroethoxy)-1,3-dihydroindole-5-sulfonamide is O=C1Cc2cc(S(=O)(=O)NOCC(F)(F)F)ccc2N1.
What is the InChIKey of 2-oxo-N-(2,2,2-trifluoroethoxy)-1,3-dihydroindole-5-sulfonamide?
The InChIKey is ICLGHYMRPOJHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O4S/c11-10(12,13)5-19-15-20(17,18)7-1-2-8-6(3-7)4-9(16)14-8/h1-3,15H,4-5H2,(H,14,16).
What are the key properties of 2-oxo-N-(2,2,2-trifluoroethoxy)-1,3-dihydroindole-5-sulfonamide?
2-oxo-N-(2,2,2-trifluoroethoxy)-1,3-dihydroindole-5-sulfonamide has a molecular weight of 310.25 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(2,2,2-trifluoroethoxy)-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 82715697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).