1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridine

C15H11F3N2O2S — CID 138984260

IUPAC1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridine
SMILESCc1ccc(S(=O)(=O)n2ccc3c(C(F)(F)F)ccnc32)cc1
InChIInChI=1S/C15H11F3N2O2S/c1-10-2-4-11(5-3-10)23(21,22)20-9-7-12-13(15(16,17)18)6-8-19-14(12)20/h2-9H,1H3
InChIKeyFPJCYDBAKPLRHV-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.60
Rot. Bonds2

About 1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridine

1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridine (PubChem CID 138984260) has the molecular formula C15H11F3N2O2S and a molecular weight of 340.33 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridine
PubChem CID138984260
Molecular FormulaC15H11F3N2O2S
Molecular Weight340.33 g/mol
Exact Mass340.05
IUPAC Name1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridine
SMILESCc1ccc(S(=O)(=O)n2ccc3c(C(F)(F)F)ccnc32)cc1
InChIInChI=1S/C15H11F3N2O2S/c1-10-2-4-11(5-3-10)23(21,22)20-9-7-12-13(15(16,17)18)6-8-19-14(12)20/h2-9H,1H3
InChIKeyFPJCYDBAKPLRHV-UHFFFAOYSA-N
XLogP3.60
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridine (CID 138984260) is 1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridine is Cc1ccc(S(=O)(=O)n2ccc3c(C(F)(F)F)ccnc32)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridine?
The InChIKey is FPJCYDBAKPLRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O2S/c1-10-2-4-11(5-3-10)23(21,22)20-9-7-12-13(15(16,17)18)6-8-19-14(12)20/h2-9H,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridine?
1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridine has a molecular weight of 340.33 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 138984260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).