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

C15H12BrClN2O2S — CID 135358483

IUPAC5-bromo-4-chloro-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
SMILESCc1ccc(S(=O)(=O)n2c(C)cc3c(Cl)c(Br)cnc32)cc1
InChIInChI=1S/C15H12BrClN2O2S/c1-9-3-5-11(6-4-9)22(20,21)19-10(2)7-12-14(17)13(16)8-18-15(12)19/h3-8H,1-2H3
InChIKeyYAGOJAHAYJYHSY-UHFFFAOYSA-N
MW399.70 g/mol
LogP4.31
Rot. Bonds2

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

5-bromo-4-chloro-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine (PubChem CID 135358483) has the molecular formula C15H12BrClN2O2S and a molecular weight of 399.70 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
PubChem CID135358483
Molecular FormulaC15H12BrClN2O2S
Molecular Weight399.70 g/mol
Exact Mass397.95
IUPAC Name5-bromo-4-chloro-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
SMILESCc1ccc(S(=O)(=O)n2c(C)cc3c(Cl)c(Br)cnc32)cc1
InChIInChI=1S/C15H12BrClN2O2S/c1-9-3-5-11(6-4-9)22(20,21)19-10(2)7-12-14(17)13(16)8-18-15(12)19/h3-8H,1-2H3
InChIKeyYAGOJAHAYJYHSY-UHFFFAOYSA-N
XLogP4.31
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.70
LogP ≤ 54.31
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-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The IUPAC name of 5-bromo-4-chloro-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine (CID 135358483) is 5-bromo-4-chloro-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-bromo-4-chloro-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-bromo-4-chloro-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine is Cc1ccc(S(=O)(=O)n2c(C)cc3c(Cl)c(Br)cnc32)cc1.
What is the InChIKey of 5-bromo-4-chloro-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The InChIKey is YAGOJAHAYJYHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2O2S/c1-9-3-5-11(6-4-9)22(20,21)19-10(2)7-12-14(17)13(16)8-18-15(12)19/h3-8H,1-2H3.
What are the key properties of 5-bromo-4-chloro-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
5-bromo-4-chloro-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine has a molecular weight of 399.70 g/mol, XLogP of 4.31, 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-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 135358483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).