6-bromo-2-oxo-1,3-dihydroindole-5-sulfinyl chloride

C8H5BrClNO2S — CID 143933032

IUPAC6-bromo-2-oxo-1,3-dihydroindole-5-sulfinyl chloride
SMILESO=C1Cc2cc(S(=O)Cl)c(Br)cc2N1
InChIInChI=1S/C8H5BrClNO2S/c9-5-3-6-4(2-8(12)11-6)1-7(5)14(10)13/h1,3H,2H2,(H,11,12)
InChIKeyBSPPEHJQBGPJOY-UHFFFAOYSA-N
MW294.56 g/mol
LogP2.21
Rot. Bonds1

About 6-bromo-2-oxo-1,3-dihydroindole-5-sulfinyl chloride

6-bromo-2-oxo-1,3-dihydroindole-5-sulfinyl chloride (PubChem CID 143933032) has the molecular formula C8H5BrClNO2S and a molecular weight of 294.56 g/mol. Its IUPAC name is 6-bromo-2-oxo-1,3-dihydroindole-5-sulfinyl chloride.

Molecular Properties

Compound Name6-bromo-2-oxo-1,3-dihydroindole-5-sulfinyl chloride
PubChem CID143933032
Molecular FormulaC8H5BrClNO2S
Molecular Weight294.56 g/mol
Exact Mass292.89
IUPAC Name6-bromo-2-oxo-1,3-dihydroindole-5-sulfinyl chloride
SMILESO=C1Cc2cc(S(=O)Cl)c(Br)cc2N1
InChIInChI=1S/C8H5BrClNO2S/c9-5-3-6-4(2-8(12)11-6)1-7(5)14(10)13/h1,3H,2H2,(H,11,12)
InChIKeyBSPPEHJQBGPJOY-UHFFFAOYSA-N
XLogP2.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.56
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-oxo-1,3-dihydroindole-5-sulfinyl chloride?
The IUPAC name of 6-bromo-2-oxo-1,3-dihydroindole-5-sulfinyl chloride (CID 143933032) is 6-bromo-2-oxo-1,3-dihydroindole-5-sulfinyl chloride.
What is the SMILES notation for 6-bromo-2-oxo-1,3-dihydroindole-5-sulfinyl chloride?
The canonical SMILES for 6-bromo-2-oxo-1,3-dihydroindole-5-sulfinyl chloride is O=C1Cc2cc(S(=O)Cl)c(Br)cc2N1.
What is the InChIKey of 6-bromo-2-oxo-1,3-dihydroindole-5-sulfinyl chloride?
The InChIKey is BSPPEHJQBGPJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClNO2S/c9-5-3-6-4(2-8(12)11-6)1-7(5)14(10)13/h1,3H,2H2,(H,11,12).
What are the key properties of 6-bromo-2-oxo-1,3-dihydroindole-5-sulfinyl chloride?
6-bromo-2-oxo-1,3-dihydroindole-5-sulfinyl chloride has a molecular weight of 294.56 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-oxo-1,3-dihydroindole-5-sulfinyl chloride is sourced from PubChem (CID 143933032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).