3-[4-(difluoromethyl)-1,3-oxazol-5-yl]-5-fluoro-N,N-dimethylpyrrolo[2,3-b]pyridine-1-sulfonamide

C13H11F3N4O3S — CID 155236729

IUPAC3-[4-(difluoromethyl)-1,3-oxazol-5-yl]-5-fluoro-N,N-dimethylpyrrolo[2,3-b]pyridine-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1cc(-c2ocnc2C(F)F)c2cc(F)cnc21
InChIInChI=1S/C13H11F3N4O3S/c1-19(2)24(21,22)20-5-9(8-3-7(14)4-17-13(8)20)11-10(12(15)16)18-6-23-11/h3-6,12H,1-2H3
InChIKeyVZHOEEIALWSMDG-UHFFFAOYSA-N
MW360.32 g/mol
LogP2.42
Rot. Bonds4

About 3-[4-(difluoromethyl)-1,3-oxazol-5-yl]-5-fluoro-N,N-dimethylpyrrolo[2,3-b]pyridine-1-sulfonamide

3-[4-(difluoromethyl)-1,3-oxazol-5-yl]-5-fluoro-N,N-dimethylpyrrolo[2,3-b]pyridine-1-sulfonamide (PubChem CID 155236729) has the molecular formula C13H11F3N4O3S and a molecular weight of 360.32 g/mol. Its IUPAC name is 3-[4-(difluoromethyl)-1,3-oxazol-5-yl]-5-fluoro-N,N-dimethylpyrrolo[2,3-b]pyridine-1-sulfonamide.

Molecular Properties

Compound Name3-[4-(difluoromethyl)-1,3-oxazol-5-yl]-5-fluoro-N,N-dimethylpyrrolo[2,3-b]pyridine-1-sulfonamide
PubChem CID155236729
Molecular FormulaC13H11F3N4O3S
Molecular Weight360.32 g/mol
Exact Mass360.05
IUPAC Name3-[4-(difluoromethyl)-1,3-oxazol-5-yl]-5-fluoro-N,N-dimethylpyrrolo[2,3-b]pyridine-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1cc(-c2ocnc2C(F)F)c2cc(F)cnc21
InChIInChI=1S/C13H11F3N4O3S/c1-19(2)24(21,22)20-5-9(8-3-7(14)4-17-13(8)20)11-10(12(15)16)18-6-23-11/h3-6,12H,1-2H3
InChIKeyVZHOEEIALWSMDG-UHFFFAOYSA-N
XLogP2.42
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-(Benzenesulfonyl)-5-(2,4-difluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole
CID 58758525
5-[1-(Benzenesulfonyl)-5-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole
CID 59812028
4-[6-(4-methyl-1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 139339538
[4-(3-Aminophenyl)-5-(4-methyl-1,3-oxazol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl] thiohypofluorite
CID 145589842
5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-(trifluoromethyl)-1,3-oxazole
CID 155227523
5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-iodo-1,3-oxazole
CID 155227524
4-(difluoromethyl)-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole
CID 155227530
5-(5-ethynyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-(trifluoromethyl)-1,3-oxazole
CID 155227533
5-fluoro-N,N-dimethyl-3-(4-methyl-1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-sulfonamide
CID 155236717
5-fluoro-N,N-dimethyl-3-[4-(trifluoromethyl)-1,3-oxazol-5-yl]pyrrolo[2,3-b]pyridine-1-sulfonamide
CID 155236730
4-(difluoromethyl)-5-(5-ethynyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole
CID 155236733
3-(4-bromo-1,3-oxazol-5-yl)-5-fluoro-N,N-dimethylpyrrolo[2,3-b]pyridine-1-sulfonamide
CID 155236749

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethyl)-1,3-oxazol-5-yl]-5-fluoro-N,N-dimethylpyrrolo[2,3-b]pyridine-1-sulfonamide?
The IUPAC name of 3-[4-(difluoromethyl)-1,3-oxazol-5-yl]-5-fluoro-N,N-dimethylpyrrolo[2,3-b]pyridine-1-sulfonamide (CID 155236729) is 3-[4-(difluoromethyl)-1,3-oxazol-5-yl]-5-fluoro-N,N-dimethylpyrrolo[2,3-b]pyridine-1-sulfonamide.
What is the SMILES notation for 3-[4-(difluoromethyl)-1,3-oxazol-5-yl]-5-fluoro-N,N-dimethylpyrrolo[2,3-b]pyridine-1-sulfonamide?
The canonical SMILES for 3-[4-(difluoromethyl)-1,3-oxazol-5-yl]-5-fluoro-N,N-dimethylpyrrolo[2,3-b]pyridine-1-sulfonamide is CN(C)S(=O)(=O)n1cc(-c2ocnc2C(F)F)c2cc(F)cnc21.
What is the InChIKey of 3-[4-(difluoromethyl)-1,3-oxazol-5-yl]-5-fluoro-N,N-dimethylpyrrolo[2,3-b]pyridine-1-sulfonamide?
The InChIKey is VZHOEEIALWSMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O3S/c1-19(2)24(21,22)20-5-9(8-3-7(14)4-17-13(8)20)11-10(12(15)16)18-6-23-11/h3-6,12H,1-2H3.
What are the key properties of 3-[4-(difluoromethyl)-1,3-oxazol-5-yl]-5-fluoro-N,N-dimethylpyrrolo[2,3-b]pyridine-1-sulfonamide?
3-[4-(difluoromethyl)-1,3-oxazol-5-yl]-5-fluoro-N,N-dimethylpyrrolo[2,3-b]pyridine-1-sulfonamide has a molecular weight of 360.32 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethyl)-1,3-oxazol-5-yl]-5-fluoro-N,N-dimethylpyrrolo[2,3-b]pyridine-1-sulfonamide is sourced from PubChem (CID 155236729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).