4-bromo-7-methyl-1-(2-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine

C15H13BrN2O2S — CID 118246589

IUPAC4-bromo-7-methyl-1-(2-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine
SMILESCc1ccccc1S(=O)(=O)n1ccc2c(Br)cnc(C)c21
InChIInChI=1S/C15H13BrN2O2S/c1-10-5-3-4-6-14(10)21(19,20)18-8-7-12-13(16)9-17-11(2)15(12)18/h3-9H,1-2H3
InChIKeySKYHFVZMCFPNTN-UHFFFAOYSA-N
MW365.25 g/mol
LogP3.65
Rot. Bonds2

About 4-bromo-7-methyl-1-(2-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine

4-bromo-7-methyl-1-(2-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine (PubChem CID 118246589) has the molecular formula C15H13BrN2O2S and a molecular weight of 365.25 g/mol. Its IUPAC name is 4-bromo-7-methyl-1-(2-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name4-bromo-7-methyl-1-(2-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine
PubChem CID118246589
Molecular FormulaC15H13BrN2O2S
Molecular Weight365.25 g/mol
Exact Mass363.99
IUPAC Name4-bromo-7-methyl-1-(2-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine
SMILESCc1ccccc1S(=O)(=O)n1ccc2c(Br)cnc(C)c21
InChIInChI=1S/C15H13BrN2O2S/c1-10-5-3-4-6-14(10)21(19,20)18-8-7-12-13(16)9-17-11(2)15(12)18/h3-9H,1-2H3
InChIKeySKYHFVZMCFPNTN-UHFFFAOYSA-N
XLogP3.65
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-methyl-1-(2-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine?
The IUPAC name of 4-bromo-7-methyl-1-(2-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine (CID 118246589) is 4-bromo-7-methyl-1-(2-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 4-bromo-7-methyl-1-(2-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 4-bromo-7-methyl-1-(2-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine is Cc1ccccc1S(=O)(=O)n1ccc2c(Br)cnc(C)c21.
What is the InChIKey of 4-bromo-7-methyl-1-(2-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine?
The InChIKey is SKYHFVZMCFPNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2S/c1-10-5-3-4-6-14(10)21(19,20)18-8-7-12-13(16)9-17-11(2)15(12)18/h3-9H,1-2H3.
What are the key properties of 4-bromo-7-methyl-1-(2-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine?
4-bromo-7-methyl-1-(2-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine has a molecular weight of 365.25 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-methyl-1-(2-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 118246589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).