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

C15H14FN3O2S — CID 22028185

IUPAC2-[3-(4-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]ethanamine
SMILESNCCn1cc(S(=O)(=O)c2ccc(F)cc2)c2cccnc21
InChIInChI=1S/C15H14FN3O2S/c16-11-3-5-12(6-4-11)22(20,21)14-10-19(9-7-17)15-13(14)2-1-8-18-15/h1-6,8,10H,7,9,17H2
InChIKeyCOBUBWRKUSJNCX-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.97
Rot. Bonds4

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

2-[3-(4-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]ethanamine (PubChem CID 22028185) has the molecular formula C15H14FN3O2S and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]ethanamine
PubChem CID22028185
Molecular FormulaC15H14FN3O2S
Molecular Weight319.36 g/mol
Exact Mass319.08
IUPAC Name2-[3-(4-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]ethanamine
SMILESNCCn1cc(S(=O)(=O)c2ccc(F)cc2)c2cccnc21
InChIInChI=1S/C15H14FN3O2S/c16-11-3-5-12(6-4-11)22(20,21)14-10-19(9-7-17)15-13(14)2-1-8-18-15/h1-6,8,10H,7,9,17H2
InChIKeyCOBUBWRKUSJNCX-UHFFFAOYSA-N
XLogP1.97
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]ethanamine?
The IUPAC name of 2-[3-(4-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]ethanamine (CID 22028185) is 2-[3-(4-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]ethanamine.
What is the SMILES notation for 2-[3-(4-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]ethanamine?
The canonical SMILES for 2-[3-(4-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]ethanamine is NCCn1cc(S(=O)(=O)c2ccc(F)cc2)c2cccnc21.
What is the InChIKey of 2-[3-(4-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]ethanamine?
The InChIKey is COBUBWRKUSJNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2S/c16-11-3-5-12(6-4-11)22(20,21)14-10-19(9-7-17)15-13(14)2-1-8-18-15/h1-6,8,10H,7,9,17H2.
What are the key properties of 2-[3-(4-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]ethanamine?
2-[3-(4-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]ethanamine has a molecular weight of 319.36 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]ethanamine is sourced from PubChem (CID 22028185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).