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

C12H10BrFN4O3S — CID 155236749

IUPAC3-(4-bromo-1,3-oxazol-5-yl)-5-fluoro-N,N-dimethylpyrrolo[2,3-b]pyridine-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1cc(-c2ocnc2Br)c2cc(F)cnc21
InChIInChI=1S/C12H10BrFN4O3S/c1-17(2)22(19,20)18-5-9(10-11(13)16-6-21-10)8-3-7(14)4-15-12(8)18/h3-6H,1-2H3
InChIKeyAAAADDWPFQPKSP-UHFFFAOYSA-N
MW389.21 g/mol
LogP2.25
Rot. Bonds3

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

3-(4-bromo-1,3-oxazol-5-yl)-5-fluoro-N,N-dimethylpyrrolo[2,3-b]pyridine-1-sulfonamide (PubChem CID 155236749) has the molecular formula C12H10BrFN4O3S and a molecular weight of 389.21 g/mol. Its IUPAC name is 3-(4-bromo-1,3-oxazol-5-yl)-5-fluoro-N,N-dimethylpyrrolo[2,3-b]pyridine-1-sulfonamide.

Molecular Properties

Compound Name3-(4-bromo-1,3-oxazol-5-yl)-5-fluoro-N,N-dimethylpyrrolo[2,3-b]pyridine-1-sulfonamide
PubChem CID155236749
Molecular FormulaC12H10BrFN4O3S
Molecular Weight389.21 g/mol
Exact Mass387.96
IUPAC Name3-(4-bromo-1,3-oxazol-5-yl)-5-fluoro-N,N-dimethylpyrrolo[2,3-b]pyridine-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1cc(-c2ocnc2Br)c2cc(F)cnc21
InChIInChI=1S/C12H10BrFN4O3S/c1-17(2)22(19,20)18-5-9(10-11(13)16-6-21-10)8-3-7(14)4-15-12(8)18/h3-6H,1-2H3
InChIKeyAAAADDWPFQPKSP-UHFFFAOYSA-N
XLogP2.25
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.21
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-1,3-oxazol-5-yl)-5-fluoro-N,N-dimethylpyrrolo[2,3-b]pyridine-1-sulfonamide?
The IUPAC name of 3-(4-bromo-1,3-oxazol-5-yl)-5-fluoro-N,N-dimethylpyrrolo[2,3-b]pyridine-1-sulfonamide (CID 155236749) is 3-(4-bromo-1,3-oxazol-5-yl)-5-fluoro-N,N-dimethylpyrrolo[2,3-b]pyridine-1-sulfonamide.
What is the SMILES notation for 3-(4-bromo-1,3-oxazol-5-yl)-5-fluoro-N,N-dimethylpyrrolo[2,3-b]pyridine-1-sulfonamide?
The canonical SMILES for 3-(4-bromo-1,3-oxazol-5-yl)-5-fluoro-N,N-dimethylpyrrolo[2,3-b]pyridine-1-sulfonamide is CN(C)S(=O)(=O)n1cc(-c2ocnc2Br)c2cc(F)cnc21.
What is the InChIKey of 3-(4-bromo-1,3-oxazol-5-yl)-5-fluoro-N,N-dimethylpyrrolo[2,3-b]pyridine-1-sulfonamide?
The InChIKey is AAAADDWPFQPKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN4O3S/c1-17(2)22(19,20)18-5-9(10-11(13)16-6-21-10)8-3-7(14)4-15-12(8)18/h3-6H,1-2H3.
What are the key properties of 3-(4-bromo-1,3-oxazol-5-yl)-5-fluoro-N,N-dimethylpyrrolo[2,3-b]pyridine-1-sulfonamide?
3-(4-bromo-1,3-oxazol-5-yl)-5-fluoro-N,N-dimethylpyrrolo[2,3-b]pyridine-1-sulfonamide has a molecular weight of 389.21 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-1,3-oxazol-5-yl)-5-fluoro-N,N-dimethylpyrrolo[2,3-b]pyridine-1-sulfonamide is sourced from PubChem (CID 155236749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).