1-(4-bromophenyl)sulfonyl-6-methylindole

C15H12BrNO2S — CID 46890793

IUPAC1-(4-bromophenyl)sulfonyl-6-methylindole
SMILESCc1ccc2ccn(S(=O)(=O)c3ccc(Br)cc3)c2c1
InChIInChI=1S/C15H12BrNO2S/c1-11-2-3-12-8-9-17(15(12)10-11)20(18,19)14-6-4-13(16)5-7-14/h2-10H,1H3
InChIKeyMZPLTPZRNDFVAJ-UHFFFAOYSA-N
MW350.24 g/mol
LogP3.95
Rot. Bonds2

About 1-(4-bromophenyl)sulfonyl-6-methylindole

1-(4-bromophenyl)sulfonyl-6-methylindole (PubChem CID 46890793) has the molecular formula C15H12BrNO2S and a molecular weight of 350.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-6-methylindole.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-6-methylindole
PubChem CID46890793
Molecular FormulaC15H12BrNO2S
Molecular Weight350.24 g/mol
Exact Mass348.98
IUPAC Name1-(4-bromophenyl)sulfonyl-6-methylindole
SMILESCc1ccc2ccn(S(=O)(=O)c3ccc(Br)cc3)c2c1
InChIInChI=1S/C15H12BrNO2S/c1-11-2-3-12-8-9-17(15(12)10-11)20(18,19)14-6-4-13(16)5-7-14/h2-10H,1H3
InChIKeyMZPLTPZRNDFVAJ-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 1-(4-bromophenyl)sulfonyl-6-methylindole?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-6-methylindole (CID 46890793) is 1-(4-bromophenyl)sulfonyl-6-methylindole.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-6-methylindole?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-6-methylindole is Cc1ccc2ccn(S(=O)(=O)c3ccc(Br)cc3)c2c1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-6-methylindole?
The InChIKey is MZPLTPZRNDFVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO2S/c1-11-2-3-12-8-9-17(15(12)10-11)20(18,19)14-6-4-13(16)5-7-14/h2-10H,1H3.
What are the key properties of 1-(4-bromophenyl)sulfonyl-6-methylindole?
1-(4-bromophenyl)sulfonyl-6-methylindole 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 1-(4-bromophenyl)sulfonyl-6-methylindole is sourced from PubChem (CID 46890793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).