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

C8H5BrClNO3S — CID 54595979

IUPAC6-bromo-2-oxo-1,3-dihydroindole-5-sulfonyl chloride
SMILESO=C1Cc2cc(S(=O)(=O)Cl)c(Br)cc2N1
InChIInChI=1S/C8H5BrClNO3S/c9-5-3-6-4(2-8(12)11-6)1-7(5)15(10,13)14/h1,3H,2H2,(H,11,12)
InChIKeyLHNPSOIHVMOCLX-UHFFFAOYSA-N
MW310.56 g/mol
LogP1.87
Rot. Bonds1

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

6-bromo-2-oxo-1,3-dihydroindole-5-sulfonyl chloride (PubChem CID 54595979) has the molecular formula C8H5BrClNO3S and a molecular weight of 310.56 g/mol. Its IUPAC name is 6-bromo-2-oxo-1,3-dihydroindole-5-sulfonyl chloride.

Molecular Properties

Compound Name6-bromo-2-oxo-1,3-dihydroindole-5-sulfonyl chloride
PubChem CID54595979
Molecular FormulaC8H5BrClNO3S
Molecular Weight310.56 g/mol
Exact Mass308.89
IUPAC Name6-bromo-2-oxo-1,3-dihydroindole-5-sulfonyl chloride
SMILESO=C1Cc2cc(S(=O)(=O)Cl)c(Br)cc2N1
InChIInChI=1S/C8H5BrClNO3S/c9-5-3-6-4(2-8(12)11-6)1-7(5)15(10,13)14/h1,3H,2H2,(H,11,12)
InChIKeyLHNPSOIHVMOCLX-UHFFFAOYSA-N
XLogP1.87
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.56
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-oxo-1,3-dihydroindole-5-sulfonyl chloride?
The IUPAC name of 6-bromo-2-oxo-1,3-dihydroindole-5-sulfonyl chloride (CID 54595979) is 6-bromo-2-oxo-1,3-dihydroindole-5-sulfonyl chloride.
What is the SMILES notation for 6-bromo-2-oxo-1,3-dihydroindole-5-sulfonyl chloride?
The canonical SMILES for 6-bromo-2-oxo-1,3-dihydroindole-5-sulfonyl chloride is O=C1Cc2cc(S(=O)(=O)Cl)c(Br)cc2N1.
What is the InChIKey of 6-bromo-2-oxo-1,3-dihydroindole-5-sulfonyl chloride?
The InChIKey is LHNPSOIHVMOCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClNO3S/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 chloride?
6-bromo-2-oxo-1,3-dihydroindole-5-sulfonyl chloride has a molecular weight of 310.56 g/mol, XLogP of 1.87, 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 chloride is sourced from PubChem (CID 54595979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).