1-(3,5-difluorophenyl)sulfonyl-4-propan-2-ylpyrrolo[2,3-c]pyridine

C16H14F2N2O2S — CID 171562347

IUPAC1-(3,5-difluorophenyl)sulfonyl-4-propan-2-ylpyrrolo[2,3-c]pyridine
SMILESCC(C)c1cncc2c1ccn2S(=O)(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C16H14F2N2O2S/c1-10(2)15-8-19-9-16-14(15)3-4-20(16)23(21,22)13-6-11(17)5-12(18)7-13/h3-10H,1-2H3
InChIKeyXCHIVYKDEGWJEK-UHFFFAOYSA-N
MW336.36 g/mol
LogP3.67
Rot. Bonds3

About 1-(3,5-difluorophenyl)sulfonyl-4-propan-2-ylpyrrolo[2,3-c]pyridine

1-(3,5-difluorophenyl)sulfonyl-4-propan-2-ylpyrrolo[2,3-c]pyridine (PubChem CID 171562347) has the molecular formula C16H14F2N2O2S and a molecular weight of 336.36 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)sulfonyl-4-propan-2-ylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)sulfonyl-4-propan-2-ylpyrrolo[2,3-c]pyridine
PubChem CID171562347
Molecular FormulaC16H14F2N2O2S
Molecular Weight336.36 g/mol
Exact Mass336.07
IUPAC Name1-(3,5-difluorophenyl)sulfonyl-4-propan-2-ylpyrrolo[2,3-c]pyridine
SMILESCC(C)c1cncc2c1ccn2S(=O)(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C16H14F2N2O2S/c1-10(2)15-8-19-9-16-14(15)3-4-20(16)23(21,22)13-6-11(17)5-12(18)7-13/h3-10H,1-2H3
InChIKeyXCHIVYKDEGWJEK-UHFFFAOYSA-N
XLogP3.67
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)sulfonyl-4-propan-2-ylpyrrolo[2,3-c]pyridine?
The IUPAC name of 1-(3,5-difluorophenyl)sulfonyl-4-propan-2-ylpyrrolo[2,3-c]pyridine (CID 171562347) is 1-(3,5-difluorophenyl)sulfonyl-4-propan-2-ylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 1-(3,5-difluorophenyl)sulfonyl-4-propan-2-ylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 1-(3,5-difluorophenyl)sulfonyl-4-propan-2-ylpyrrolo[2,3-c]pyridine is CC(C)c1cncc2c1ccn2S(=O)(=O)c1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)sulfonyl-4-propan-2-ylpyrrolo[2,3-c]pyridine?
The InChIKey is XCHIVYKDEGWJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O2S/c1-10(2)15-8-19-9-16-14(15)3-4-20(16)23(21,22)13-6-11(17)5-12(18)7-13/h3-10H,1-2H3.
What are the key properties of 1-(3,5-difluorophenyl)sulfonyl-4-propan-2-ylpyrrolo[2,3-c]pyridine?
1-(3,5-difluorophenyl)sulfonyl-4-propan-2-ylpyrrolo[2,3-c]pyridine has a molecular weight of 336.36 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)sulfonyl-4-propan-2-ylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 171562347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).