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

C14H10BrClN2O2S — CID 135358438

IUPAC5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
SMILESCc1ccc(S(=O)(=O)n2ccc3c(Cl)c(Br)cnc32)cc1
InChIInChI=1S/C14H10BrClN2O2S/c1-9-2-4-10(5-3-9)21(19,20)18-7-6-11-13(16)12(15)8-17-14(11)18/h2-8H,1H3
InChIKeyAYVXAUGAIRULFD-UHFFFAOYSA-N
MW385.67 g/mol
LogP4.00
Rot. Bonds2

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

5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine (PubChem CID 135358438) has the molecular formula C14H10BrClN2O2S and a molecular weight of 385.67 g/mol. Its IUPAC name is 5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
PubChem CID135358438
Molecular FormulaC14H10BrClN2O2S
Molecular Weight385.67 g/mol
Exact Mass383.93
IUPAC Name5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
SMILESCc1ccc(S(=O)(=O)n2ccc3c(Cl)c(Br)cnc32)cc1
InChIInChI=1S/C14H10BrClN2O2S/c1-9-2-4-10(5-3-9)21(19,20)18-7-6-11-13(16)12(15)8-17-14(11)18/h2-8H,1H3
InChIKeyAYVXAUGAIRULFD-UHFFFAOYSA-N
XLogP4.00
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.67
LogP ≤ 54.00
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-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The IUPAC name of 5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine (CID 135358438) is 5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine is Cc1ccc(S(=O)(=O)n2ccc3c(Cl)c(Br)cnc32)cc1.
What is the InChIKey of 5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The InChIKey is AYVXAUGAIRULFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O2S/c1-9-2-4-10(5-3-9)21(19,20)18-7-6-11-13(16)12(15)8-17-14(11)18/h2-8H,1H3.
What are the key properties of 5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine has a molecular weight of 385.67 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 135358438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).