5-bromo-4-chloro-2-ethyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine

C16H14BrClN2O2S — CID 135358805

IUPAC5-bromo-4-chloro-2-ethyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
SMILESCCc1cc2c(Cl)c(Br)cnc2n1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H14BrClN2O2S/c1-3-11-8-13-15(18)14(17)9-19-16(13)20(11)23(21,22)12-6-4-10(2)5-7-12/h4-9H,3H2,1-2H3
InChIKeyVIXDIUZKFVDGLY-UHFFFAOYSA-N
MW413.72 g/mol
LogP4.56
Rot. Bonds3

About 5-bromo-4-chloro-2-ethyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine

5-bromo-4-chloro-2-ethyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine (PubChem CID 135358805) has the molecular formula C16H14BrClN2O2S and a molecular weight of 413.72 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-ethyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-ethyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
PubChem CID135358805
Molecular FormulaC16H14BrClN2O2S
Molecular Weight413.72 g/mol
Exact Mass411.96
IUPAC Name5-bromo-4-chloro-2-ethyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
SMILESCCc1cc2c(Cl)c(Br)cnc2n1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H14BrClN2O2S/c1-3-11-8-13-15(18)14(17)9-19-16(13)20(11)23(21,22)12-6-4-10(2)5-7-12/h4-9H,3H2,1-2H3
InChIKeyVIXDIUZKFVDGLY-UHFFFAOYSA-N
XLogP4.56
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.72
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-ethyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The IUPAC name of 5-bromo-4-chloro-2-ethyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine (CID 135358805) is 5-bromo-4-chloro-2-ethyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-bromo-4-chloro-2-ethyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-bromo-4-chloro-2-ethyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine is CCc1cc2c(Cl)c(Br)cnc2n1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 5-bromo-4-chloro-2-ethyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The InChIKey is VIXDIUZKFVDGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O2S/c1-3-11-8-13-15(18)14(17)9-19-16(13)20(11)23(21,22)12-6-4-10(2)5-7-12/h4-9H,3H2,1-2H3.
What are the key properties of 5-bromo-4-chloro-2-ethyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
5-bromo-4-chloro-2-ethyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine has a molecular weight of 413.72 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-ethyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 135358805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).