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

C10H8BrF3N2O4S — CID 83224912

IUPAC6-bromo-2-oxo-N-(2,2,2-trifluoroethoxy)-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)NOCC(F)(F)F)c(Br)cc2N1
InChIInChI=1S/C10H8BrF3N2O4S/c11-6-3-7-5(2-9(17)15-7)1-8(6)21(18,19)16-20-4-10(12,13)14/h1,3,16H,2,4H2,(H,15,17)
InChIKeyMCTOBMJKWYLOFR-UHFFFAOYSA-N
MW389.15 g/mol
LogP1.72
Rot. Bonds4

About 6-bromo-2-oxo-N-(2,2,2-trifluoroethoxy)-1,3-dihydroindole-5-sulfonamide

6-bromo-2-oxo-N-(2,2,2-trifluoroethoxy)-1,3-dihydroindole-5-sulfonamide (PubChem CID 83224912) has the molecular formula C10H8BrF3N2O4S and a molecular weight of 389.15 g/mol. Its IUPAC name is 6-bromo-2-oxo-N-(2,2,2-trifluoroethoxy)-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name6-bromo-2-oxo-N-(2,2,2-trifluoroethoxy)-1,3-dihydroindole-5-sulfonamide
PubChem CID83224912
Molecular FormulaC10H8BrF3N2O4S
Molecular Weight389.15 g/mol
Exact Mass387.93
IUPAC Name6-bromo-2-oxo-N-(2,2,2-trifluoroethoxy)-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)NOCC(F)(F)F)c(Br)cc2N1
InChIInChI=1S/C10H8BrF3N2O4S/c11-6-3-7-5(2-9(17)15-7)1-8(6)21(18,19)16-20-4-10(12,13)14/h1,3,16H,2,4H2,(H,15,17)
InChIKeyMCTOBMJKWYLOFR-UHFFFAOYSA-N
XLogP1.72
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.15
LogP ≤ 51.72
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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Related Compounds

N'-(4-bromophenyl)-3,3-difluoro-2-oxo-1H-indole-5-sulfonohydrazide
CID 127027129
3-[(4-bromophenyl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 57135952
6-Bromo-5-(4-fluoro-benzenesulfonyl)-1,3-dihydro-indol-2-one
CID 58484186
6-Bromo-5-(4-fluorophenyl)sulfinyl-1,3-dihydroindol-2-one
CID 143933047
N-(4-bromo-2-fluorophenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 8084760
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 16311708
3-methyl-2-oxo-N-(2,2,2-trifluoroethoxy)-1,3-dihydroindole-5-sulfonamide
CID 82715676
2-oxo-N-(2,2,2-trifluoroethoxy)-1,3-dihydroindole-5-sulfonamide
CID 82715697
6-bromo-N-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 105649307
6-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 106170285
N-(3-amino-2,2-difluoropropyl)-6-bromo-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 114384074
N-[1-(4-bromophenyl)-3,3,3-trifluoropropyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 146147662

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-oxo-N-(2,2,2-trifluoroethoxy)-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of 6-bromo-2-oxo-N-(2,2,2-trifluoroethoxy)-1,3-dihydroindole-5-sulfonamide (CID 83224912) is 6-bromo-2-oxo-N-(2,2,2-trifluoroethoxy)-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 6-bromo-2-oxo-N-(2,2,2-trifluoroethoxy)-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 6-bromo-2-oxo-N-(2,2,2-trifluoroethoxy)-1,3-dihydroindole-5-sulfonamide is O=C1Cc2cc(S(=O)(=O)NOCC(F)(F)F)c(Br)cc2N1.
What is the InChIKey of 6-bromo-2-oxo-N-(2,2,2-trifluoroethoxy)-1,3-dihydroindole-5-sulfonamide?
The InChIKey is MCTOBMJKWYLOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF3N2O4S/c11-6-3-7-5(2-9(17)15-7)1-8(6)21(18,19)16-20-4-10(12,13)14/h1,3,16H,2,4H2,(H,15,17).
What are the key properties of 6-bromo-2-oxo-N-(2,2,2-trifluoroethoxy)-1,3-dihydroindole-5-sulfonamide?
6-bromo-2-oxo-N-(2,2,2-trifluoroethoxy)-1,3-dihydroindole-5-sulfonamide has a molecular weight of 389.15 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-oxo-N-(2,2,2-trifluoroethoxy)-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 83224912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).