7-bromo-2-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylindole

C22H17BrClNO2S — CID 123233802

IUPAC7-bromo-2-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylindole
SMILESCc1ccc(S(=O)(=O)n2c(Cc3ccccc3Cl)cc3cccc(Br)c32)cc1
InChIInChI=1S/C22H17BrClNO2S/c1-15-9-11-19(12-10-15)28(26,27)25-18(13-16-5-2-3-8-21(16)24)14-17-6-4-7-20(23)22(17)25/h2-12,14H,13H2,1H3
InChIKeyCOLJFRNVSZFQMG-UHFFFAOYSA-N
MW474.81 g/mol
LogP6.19
Rot. Bonds4

About 7-bromo-2-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylindole

7-bromo-2-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylindole (PubChem CID 123233802) has the molecular formula C22H17BrClNO2S and a molecular weight of 474.81 g/mol. Its IUPAC name is 7-bromo-2-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylindole.

Molecular Properties

Compound Name7-bromo-2-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylindole
PubChem CID123233802
Molecular FormulaC22H17BrClNO2S
Molecular Weight474.81 g/mol
Exact Mass472.99
IUPAC Name7-bromo-2-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylindole
SMILESCc1ccc(S(=O)(=O)n2c(Cc3ccccc3Cl)cc3cccc(Br)c32)cc1
InChIInChI=1S/C22H17BrClNO2S/c1-15-9-11-19(12-10-15)28(26,27)25-18(13-16-5-2-3-8-21(16)24)14-17-6-4-7-20(23)22(17)25/h2-12,14H,13H2,1H3
InChIKeyCOLJFRNVSZFQMG-UHFFFAOYSA-N
XLogP6.19
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.81
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylindole?
The IUPAC name of 7-bromo-2-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylindole (CID 123233802) is 7-bromo-2-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylindole.
What is the SMILES notation for 7-bromo-2-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylindole?
The canonical SMILES for 7-bromo-2-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylindole is Cc1ccc(S(=O)(=O)n2c(Cc3ccccc3Cl)cc3cccc(Br)c32)cc1.
What is the InChIKey of 7-bromo-2-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylindole?
The InChIKey is COLJFRNVSZFQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrClNO2S/c1-15-9-11-19(12-10-15)28(26,27)25-18(13-16-5-2-3-8-21(16)24)14-17-6-4-7-20(23)22(17)25/h2-12,14H,13H2,1H3.
What are the key properties of 7-bromo-2-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylindole?
7-bromo-2-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylindole has a molecular weight of 474.81 g/mol, XLogP of 6.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylindole is sourced from PubChem (CID 123233802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).