5-bromo-3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine

C22H16BrN3O2S — CID 66779176

IUPAC5-bromo-3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
SMILESCc1ccc(S(=O)(=O)n2cc(-c3ccc4[nH]ccc4c3)c3cc(Br)cnc32)cc1
InChIInChI=1S/C22H16BrN3O2S/c1-14-2-5-18(6-3-14)29(27,28)26-13-20(19-11-17(23)12-25-22(19)26)15-4-7-21-16(10-15)8-9-24-21/h2-13,24H,1H3
InChIKeySKIWCHGADZGKSB-UHFFFAOYSA-N
MW466.36 g/mol
LogP5.49
Rot. Bonds3

About 5-bromo-3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine

5-bromo-3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine (PubChem CID 66779176) has the molecular formula C22H16BrN3O2S and a molecular weight of 466.36 g/mol. Its IUPAC name is 5-bromo-3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-bromo-3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
PubChem CID66779176
Molecular FormulaC22H16BrN3O2S
Molecular Weight466.36 g/mol
Exact Mass465.01
IUPAC Name5-bromo-3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
SMILESCc1ccc(S(=O)(=O)n2cc(-c3ccc4[nH]ccc4c3)c3cc(Br)cnc32)cc1
InChIInChI=1S/C22H16BrN3O2S/c1-14-2-5-18(6-3-14)29(27,28)26-13-20(19-11-17(23)12-25-22(19)26)15-4-7-21-16(10-15)8-9-24-21/h2-13,24H,1H3
InChIKeySKIWCHGADZGKSB-UHFFFAOYSA-N
XLogP5.49
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.36
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The IUPAC name of 5-bromo-3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine (CID 66779176) is 5-bromo-3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-bromo-3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-bromo-3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine is Cc1ccc(S(=O)(=O)n2cc(-c3ccc4[nH]ccc4c3)c3cc(Br)cnc32)cc1.
What is the InChIKey of 5-bromo-3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The InChIKey is SKIWCHGADZGKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrN3O2S/c1-14-2-5-18(6-3-14)29(27,28)26-13-20(19-11-17(23)12-25-22(19)26)15-4-7-21-16(10-15)8-9-24-21/h2-13,24H,1H3.
What are the key properties of 5-bromo-3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
5-bromo-3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine has a molecular weight of 466.36 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 66779176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).