4-bromo-1-(4-methylphenyl)sulfonylindole

C15H12BrNO2S — CID 562869

IUPAC4-bromo-1-(4-methylphenyl)sulfonylindole
SMILESCc1ccc(S(=O)(=O)n2ccc3c(Br)cccc32)cc1
InChIInChI=1S/C15H12BrNO2S/c1-11-5-7-12(8-6-11)20(18,19)17-10-9-13-14(16)3-2-4-15(13)17/h2-10H,1H3
InChIKeyLLWDHSQCZPPQDY-UHFFFAOYSA-N
MW350.24 g/mol
LogP3.95
Rot. Bonds2

About 4-bromo-1-(4-methylphenyl)sulfonylindole

4-bromo-1-(4-methylphenyl)sulfonylindole (PubChem CID 562869) has the molecular formula C15H12BrNO2S and a molecular weight of 350.24 g/mol. Its IUPAC name is 4-bromo-1-(4-methylphenyl)sulfonylindole.

Molecular Properties

Compound Name4-bromo-1-(4-methylphenyl)sulfonylindole
PubChem CID562869
Molecular FormulaC15H12BrNO2S
Molecular Weight350.24 g/mol
Exact Mass348.98
IUPAC Name4-bromo-1-(4-methylphenyl)sulfonylindole
SMILESCc1ccc(S(=O)(=O)n2ccc3c(Br)cccc32)cc1
InChIInChI=1S/C15H12BrNO2S/c1-11-5-7-12(8-6-11)20(18,19)17-10-9-13-14(16)3-2-4-15(13)17/h2-10H,1H3
InChIKeyLLWDHSQCZPPQDY-UHFFFAOYSA-N
XLogP3.95
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(4-methylphenyl)sulfonylindole?
The IUPAC name of 4-bromo-1-(4-methylphenyl)sulfonylindole (CID 562869) is 4-bromo-1-(4-methylphenyl)sulfonylindole.
What is the SMILES notation for 4-bromo-1-(4-methylphenyl)sulfonylindole?
The canonical SMILES for 4-bromo-1-(4-methylphenyl)sulfonylindole is Cc1ccc(S(=O)(=O)n2ccc3c(Br)cccc32)cc1.
What is the InChIKey of 4-bromo-1-(4-methylphenyl)sulfonylindole?
The InChIKey is LLWDHSQCZPPQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO2S/c1-11-5-7-12(8-6-11)20(18,19)17-10-9-13-14(16)3-2-4-15(13)17/h2-10H,1H3.
What are the key properties of 4-bromo-1-(4-methylphenyl)sulfonylindole?
4-bromo-1-(4-methylphenyl)sulfonylindole has a molecular weight of 350.24 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(4-methylphenyl)sulfonylindole is sourced from PubChem (CID 562869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).