2-[1-(3-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethylethanamine

C17H18FN3O2S — CID 22663097

IUPAC2-[1-(3-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1cn(S(=O)(=O)c2cccc(F)c2)c2ncccc12
InChIInChI=1S/C17H18FN3O2S/c1-20(2)10-8-13-12-21(17-16(13)7-4-9-19-17)24(22,23)15-6-3-5-14(18)11-15/h3-7,9,11-12H,8,10H2,1-2H3
InChIKeyPLTVZNVOPRYPDP-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.52
Rot. Bonds5

About 2-[1-(3-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethylethanamine

2-[1-(3-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethylethanamine (PubChem CID 22663097) has the molecular formula C17H18FN3O2S and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[1-(3-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[1-(3-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethylethanamine
PubChem CID22663097
Molecular FormulaC17H18FN3O2S
Molecular Weight347.42 g/mol
Exact Mass347.11
IUPAC Name2-[1-(3-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1cn(S(=O)(=O)c2cccc(F)c2)c2ncccc12
InChIInChI=1S/C17H18FN3O2S/c1-20(2)10-8-13-12-21(17-16(13)7-4-9-19-17)24(22,23)15-6-3-5-14(18)11-15/h3-7,9,11-12H,8,10H2,1-2H3
InChIKeyPLTVZNVOPRYPDP-UHFFFAOYSA-N
XLogP2.52
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[1-(3-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethylethanamine (CID 22663097) is 2-[1-(3-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[1-(3-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[1-(3-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethylethanamine is CN(C)CCc1cn(S(=O)(=O)c2cccc(F)c2)c2ncccc12.
What is the InChIKey of 2-[1-(3-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethylethanamine?
The InChIKey is PLTVZNVOPRYPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2S/c1-20(2)10-8-13-12-21(17-16(13)7-4-9-19-17)24(22,23)15-6-3-5-14(18)11-15/h3-7,9,11-12H,8,10H2,1-2H3.
What are the key properties of 2-[1-(3-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethylethanamine?
2-[1-(3-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethylethanamine has a molecular weight of 347.42 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 22663097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).