6-bromo-2-oxo-1,3-dihydroindole-5-sulfonyl fluoride

C8H5BrFNO3S — CID 165453546

IUPAC6-bromo-2-oxo-1,3-dihydroindole-5-sulfonyl fluoride
SMILESO=C1Cc2cc(S(=O)(=O)F)c(Br)cc2N1
InChIInChI=1S/C8H5BrFNO3S/c9-5-3-6-4(2-8(12)11-6)1-7(5)15(10,13)14/h1,3H,2H2,(H,11,12)
InChIKeyODAKOPQVBCNCKG-UHFFFAOYSA-N
MW294.10 g/mol
LogP1.60
Rot. Bonds1

About 6-bromo-2-oxo-1,3-dihydroindole-5-sulfonyl fluoride

6-bromo-2-oxo-1,3-dihydroindole-5-sulfonyl fluoride (PubChem CID 165453546) has the molecular formula C8H5BrFNO3S and a molecular weight of 294.10 g/mol. Its IUPAC name is 6-bromo-2-oxo-1,3-dihydroindole-5-sulfonyl fluoride.

Molecular Properties

Compound Name6-bromo-2-oxo-1,3-dihydroindole-5-sulfonyl fluoride
PubChem CID165453546
Molecular FormulaC8H5BrFNO3S
Molecular Weight294.10 g/mol
Exact Mass292.92
IUPAC Name6-bromo-2-oxo-1,3-dihydroindole-5-sulfonyl fluoride
SMILESO=C1Cc2cc(S(=O)(=O)F)c(Br)cc2N1
InChIInChI=1S/C8H5BrFNO3S/c9-5-3-6-4(2-8(12)11-6)1-7(5)15(10,13)14/h1,3H,2H2,(H,11,12)
InChIKeyODAKOPQVBCNCKG-UHFFFAOYSA-N
XLogP1.60
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.10
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-2,3-dihydro-1H-indole-5-sulfonyl chloride
CID 4962506
7-Bromo-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl chloride
CID 54596060
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
2-Oxo-2,3-dihydro-1H-indole-5-sulfonyl fluoride
CID 82284625
6-bromo-2-oxo-N-(2,2,2-trifluoroethoxy)-1,3-dihydroindole-5-sulfonamide
CID 83224912
3,3-Difluoro-2-oxo-2,3-dihydro-1H-indole-5-sulfonyl chloride
CID 99979335
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
7-Bromo-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl fluoride
CID 154832119

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-oxo-1,3-dihydroindole-5-sulfonyl fluoride?
The IUPAC name of 6-bromo-2-oxo-1,3-dihydroindole-5-sulfonyl fluoride (CID 165453546) is 6-bromo-2-oxo-1,3-dihydroindole-5-sulfonyl fluoride.
What is the SMILES notation for 6-bromo-2-oxo-1,3-dihydroindole-5-sulfonyl fluoride?
The canonical SMILES for 6-bromo-2-oxo-1,3-dihydroindole-5-sulfonyl fluoride is O=C1Cc2cc(S(=O)(=O)F)c(Br)cc2N1.
What is the InChIKey of 6-bromo-2-oxo-1,3-dihydroindole-5-sulfonyl fluoride?
The InChIKey is ODAKOPQVBCNCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrFNO3S/c9-5-3-6-4(2-8(12)11-6)1-7(5)15(10,13)14/h1,3H,2H2,(H,11,12).
What are the key properties of 6-bromo-2-oxo-1,3-dihydroindole-5-sulfonyl fluoride?
6-bromo-2-oxo-1,3-dihydroindole-5-sulfonyl fluoride has a molecular weight of 294.10 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-oxo-1,3-dihydroindole-5-sulfonyl fluoride is sourced from PubChem (CID 165453546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).