5-fluoro-N,N-dimethyl-3-[4-(trifluoromethyl)-1,3-oxazol-5-yl]pyrrolo[2,3-b]pyridine-1-sulfonamide

C13H10F4N4O3S — CID 155236730

IUPAC5-fluoro-N,N-dimethyl-3-[4-(trifluoromethyl)-1,3-oxazol-5-yl]pyrrolo[2,3-b]pyridine-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1cc(-c2ocnc2C(F)(F)F)c2cc(F)cnc21
InChIInChI=1S/C13H10F4N4O3S/c1-20(2)25(22,23)21-5-9(8-3-7(14)4-18-12(8)21)10-11(13(15,16)17)19-6-24-10/h3-6H,1-2H3
InChIKeyBBJHJNCMMHLLEV-UHFFFAOYSA-N
MW378.31 g/mol
LogP2.50
Rot. Bonds3

About 5-fluoro-N,N-dimethyl-3-[4-(trifluoromethyl)-1,3-oxazol-5-yl]pyrrolo[2,3-b]pyridine-1-sulfonamide

5-fluoro-N,N-dimethyl-3-[4-(trifluoromethyl)-1,3-oxazol-5-yl]pyrrolo[2,3-b]pyridine-1-sulfonamide (PubChem CID 155236730) has the molecular formula C13H10F4N4O3S and a molecular weight of 378.31 g/mol. Its IUPAC name is 5-fluoro-N,N-dimethyl-3-[4-(trifluoromethyl)-1,3-oxazol-5-yl]pyrrolo[2,3-b]pyridine-1-sulfonamide.

Molecular Properties

Compound Name5-fluoro-N,N-dimethyl-3-[4-(trifluoromethyl)-1,3-oxazol-5-yl]pyrrolo[2,3-b]pyridine-1-sulfonamide
PubChem CID155236730
Molecular FormulaC13H10F4N4O3S
Molecular Weight378.31 g/mol
Exact Mass378.04
IUPAC Name5-fluoro-N,N-dimethyl-3-[4-(trifluoromethyl)-1,3-oxazol-5-yl]pyrrolo[2,3-b]pyridine-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1cc(-c2ocnc2C(F)(F)F)c2cc(F)cnc21
InChIInChI=1S/C13H10F4N4O3S/c1-20(2)25(22,23)21-5-9(8-3-7(14)4-18-12(8)21)10-11(13(15,16)17)19-6-24-10/h3-6H,1-2H3
InChIKeyBBJHJNCMMHLLEV-UHFFFAOYSA-N
XLogP2.50
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 52.50
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-[4-(trifluoromethyl)-1,3-oxazol-5-yl]pyrrolo[2,3-b]pyridine-1-sulfonamide?
The IUPAC name of 5-fluoro-N,N-dimethyl-3-[4-(trifluoromethyl)-1,3-oxazol-5-yl]pyrrolo[2,3-b]pyridine-1-sulfonamide (CID 155236730) is 5-fluoro-N,N-dimethyl-3-[4-(trifluoromethyl)-1,3-oxazol-5-yl]pyrrolo[2,3-b]pyridine-1-sulfonamide.
What is the SMILES notation for 5-fluoro-N,N-dimethyl-3-[4-(trifluoromethyl)-1,3-oxazol-5-yl]pyrrolo[2,3-b]pyridine-1-sulfonamide?
The canonical SMILES for 5-fluoro-N,N-dimethyl-3-[4-(trifluoromethyl)-1,3-oxazol-5-yl]pyrrolo[2,3-b]pyridine-1-sulfonamide is CN(C)S(=O)(=O)n1cc(-c2ocnc2C(F)(F)F)c2cc(F)cnc21.
What is the InChIKey of 5-fluoro-N,N-dimethyl-3-[4-(trifluoromethyl)-1,3-oxazol-5-yl]pyrrolo[2,3-b]pyridine-1-sulfonamide?
The InChIKey is BBJHJNCMMHLLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F4N4O3S/c1-20(2)25(22,23)21-5-9(8-3-7(14)4-18-12(8)21)10-11(13(15,16)17)19-6-24-10/h3-6H,1-2H3.
What are the key properties of 5-fluoro-N,N-dimethyl-3-[4-(trifluoromethyl)-1,3-oxazol-5-yl]pyrrolo[2,3-b]pyridine-1-sulfonamide?
5-fluoro-N,N-dimethyl-3-[4-(trifluoromethyl)-1,3-oxazol-5-yl]pyrrolo[2,3-b]pyridine-1-sulfonamide has a molecular weight of 378.31 g/mol, XLogP of 2.50, 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-[4-(trifluoromethyl)-1,3-oxazol-5-yl]pyrrolo[2,3-b]pyridine-1-sulfonamide is sourced from PubChem (CID 155236730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).