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

C13H13FN4O3S — CID 155236717

IUPAC5-fluoro-N,N-dimethyl-3-(4-methyl-1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-sulfonamide
SMILESCc1ncoc1-c1cn(S(=O)(=O)N(C)C)c2ncc(F)cc12
InChIInChI=1S/C13H13FN4O3S/c1-8-12(21-7-16-8)11-6-18(22(19,20)17(2)3)13-10(11)4-9(14)5-15-13/h4-7H,1-3H3
InChIKeyYEDZXDLNLXNMAP-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.79
Rot. Bonds3

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

5-fluoro-N,N-dimethyl-3-(4-methyl-1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-sulfonamide (PubChem CID 155236717) has the molecular formula C13H13FN4O3S and a molecular weight of 324.34 g/mol. Its IUPAC name is 5-fluoro-N,N-dimethyl-3-(4-methyl-1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-sulfonamide.

Molecular Properties

Compound Name5-fluoro-N,N-dimethyl-3-(4-methyl-1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-sulfonamide
PubChem CID155236717
Molecular FormulaC13H13FN4O3S
Molecular Weight324.34 g/mol
Exact Mass324.07
IUPAC Name5-fluoro-N,N-dimethyl-3-(4-methyl-1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-sulfonamide
SMILESCc1ncoc1-c1cn(S(=O)(=O)N(C)C)c2ncc(F)cc12
InChIInChI=1S/C13H13FN4O3S/c1-8-12(21-7-16-8)11-6-18(22(19,20)17(2)3)13-10(11)4-9(14)5-15-13/h4-7H,1-3H3
InChIKeyYEDZXDLNLXNMAP-UHFFFAOYSA-N
XLogP1.79
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.79
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-methyl-1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-sulfonamide?
The IUPAC name of 5-fluoro-N,N-dimethyl-3-(4-methyl-1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-sulfonamide (CID 155236717) is 5-fluoro-N,N-dimethyl-3-(4-methyl-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-methyl-1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-sulfonamide?
The canonical SMILES for 5-fluoro-N,N-dimethyl-3-(4-methyl-1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-sulfonamide is Cc1ncoc1-c1cn(S(=O)(=O)N(C)C)c2ncc(F)cc12.
What is the InChIKey of 5-fluoro-N,N-dimethyl-3-(4-methyl-1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-sulfonamide?
The InChIKey is YEDZXDLNLXNMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O3S/c1-8-12(21-7-16-8)11-6-18(22(19,20)17(2)3)13-10(11)4-9(14)5-15-13/h4-7H,1-3H3.
What are the key properties of 5-fluoro-N,N-dimethyl-3-(4-methyl-1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-sulfonamide?
5-fluoro-N,N-dimethyl-3-(4-methyl-1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-sulfonamide has a molecular weight of 324.34 g/mol, XLogP of 1.79, 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-methyl-1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-sulfonamide is sourced from PubChem (CID 155236717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).