5-fluoro-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-sulfonamide

C12H11FN4O3S — CID 155236773

IUPAC5-fluoro-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1cc(-c2cnco2)c2cc(F)cnc21
InChIInChI=1S/C12H11FN4O3S/c1-16(2)21(18,19)17-6-10(11-5-14-7-20-11)9-3-8(13)4-15-12(9)17/h3-7H,1-2H3
InChIKeyLOQVFZVSLGJLLI-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.48
Rot. Bonds3

About 5-fluoro-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-sulfonamide

5-fluoro-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-sulfonamide (PubChem CID 155236773) has the molecular formula C12H11FN4O3S and a molecular weight of 310.31 g/mol. Its IUPAC name is 5-fluoro-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-sulfonamide.

Molecular Properties

Compound Name5-fluoro-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-sulfonamide
PubChem CID155236773
Molecular FormulaC12H11FN4O3S
Molecular Weight310.31 g/mol
Exact Mass310.05
IUPAC Name5-fluoro-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1cc(-c2cnco2)c2cc(F)cnc21
InChIInChI=1S/C12H11FN4O3S/c1-16(2)21(18,19)17-6-10(11-5-14-7-20-11)9-3-8(13)4-15-12(9)17/h3-7H,1-2H3
InChIKeyLOQVFZVSLGJLLI-UHFFFAOYSA-N
XLogP1.48
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-sulfonamide?
The IUPAC name of 5-fluoro-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-sulfonamide (CID 155236773) is 5-fluoro-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-sulfonamide.
What is the SMILES notation for 5-fluoro-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-sulfonamide?
The canonical SMILES for 5-fluoro-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-sulfonamide is CN(C)S(=O)(=O)n1cc(-c2cnco2)c2cc(F)cnc21.
What is the InChIKey of 5-fluoro-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-sulfonamide?
The InChIKey is LOQVFZVSLGJLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O3S/c1-16(2)21(18,19)17-6-10(11-5-14-7-20-11)9-3-8(13)4-15-12(9)17/h3-7H,1-2H3.
What are the key properties of 5-fluoro-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-sulfonamide?
5-fluoro-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-sulfonamide has a molecular weight of 310.31 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-sulfonamide is sourced from PubChem (CID 155236773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).