2-[1-(3,4-difluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]ethanamine

C15H13F2N3O2S — CID 22663035

IUPAC2-[1-(3,4-difluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]ethanamine
SMILESNCCc1cn(S(=O)(=O)c2ccc(F)c(F)c2)c2ncccc12
InChIInChI=1S/C15H13F2N3O2S/c16-13-4-3-11(8-14(13)17)23(21,22)20-9-10(5-6-18)12-2-1-7-19-15(12)20/h1-4,7-9H,5-6,18H2
InChIKeyCFNKFHWQHQXDDA-UHFFFAOYSA-N
MW337.35 g/mol
LogP2.05
Rot. Bonds4

About 2-[1-(3,4-difluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]ethanamine

2-[1-(3,4-difluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]ethanamine (PubChem CID 22663035) has the molecular formula C15H13F2N3O2S and a molecular weight of 337.35 g/mol. Its IUPAC name is 2-[1-(3,4-difluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(3,4-difluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]ethanamine
PubChem CID22663035
Molecular FormulaC15H13F2N3O2S
Molecular Weight337.35 g/mol
Exact Mass337.07
IUPAC Name2-[1-(3,4-difluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]ethanamine
SMILESNCCc1cn(S(=O)(=O)c2ccc(F)c(F)c2)c2ncccc12
InChIInChI=1S/C15H13F2N3O2S/c16-13-4-3-11(8-14(13)17)23(21,22)20-9-10(5-6-18)12-2-1-7-19-15(12)20/h1-4,7-9H,5-6,18H2
InChIKeyCFNKFHWQHQXDDA-UHFFFAOYSA-N
XLogP2.05
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-difluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]ethanamine?
The IUPAC name of 2-[1-(3,4-difluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]ethanamine (CID 22663035) is 2-[1-(3,4-difluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(3,4-difluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]ethanamine?
The canonical SMILES for 2-[1-(3,4-difluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]ethanamine is NCCc1cn(S(=O)(=O)c2ccc(F)c(F)c2)c2ncccc12.
What is the InChIKey of 2-[1-(3,4-difluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]ethanamine?
The InChIKey is CFNKFHWQHQXDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O2S/c16-13-4-3-11(8-14(13)17)23(21,22)20-9-10(5-6-18)12-2-1-7-19-15(12)20/h1-4,7-9H,5-6,18H2.
What are the key properties of 2-[1-(3,4-difluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]ethanamine?
2-[1-(3,4-difluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]ethanamine has a molecular weight of 337.35 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-difluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]ethanamine is sourced from PubChem (CID 22663035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).