3-fluoro-7-iodo-N,N-dimethylpyrrolo[2,3-b]pyrazine-5-sulfonamide

C8H8FIN4O2S — CID 155673211

IUPAC3-fluoro-7-iodo-N,N-dimethylpyrrolo[2,3-b]pyrazine-5-sulfonamide
SMILESCN(C)S(=O)(=O)n1cc(I)c2ncc(F)nc21
InChIInChI=1S/C8H8FIN4O2S/c1-13(2)17(15,16)14-4-5(10)7-8(14)12-6(9)3-11-7/h3-4H,1-2H3
InChIKeyVPLQINZPGJGEMI-UHFFFAOYSA-N
MW370.15 g/mol
LogP0.83
Rot. Bonds2

About 3-fluoro-7-iodo-N,N-dimethylpyrrolo[2,3-b]pyrazine-5-sulfonamide

3-fluoro-7-iodo-N,N-dimethylpyrrolo[2,3-b]pyrazine-5-sulfonamide (PubChem CID 155673211) has the molecular formula C8H8FIN4O2S and a molecular weight of 370.15 g/mol. Its IUPAC name is 3-fluoro-7-iodo-N,N-dimethylpyrrolo[2,3-b]pyrazine-5-sulfonamide.

Molecular Properties

Compound Name3-fluoro-7-iodo-N,N-dimethylpyrrolo[2,3-b]pyrazine-5-sulfonamide
PubChem CID155673211
Molecular FormulaC8H8FIN4O2S
Molecular Weight370.15 g/mol
Exact Mass369.94
IUPAC Name3-fluoro-7-iodo-N,N-dimethylpyrrolo[2,3-b]pyrazine-5-sulfonamide
SMILESCN(C)S(=O)(=O)n1cc(I)c2ncc(F)nc21
InChIInChI=1S/C8H8FIN4O2S/c1-13(2)17(15,16)14-4-5(10)7-8(14)12-6(9)3-11-7/h3-4H,1-2H3
InChIKeyVPLQINZPGJGEMI-UHFFFAOYSA-N
XLogP0.83
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.15
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-7-iodo-N,N-dimethylpyrrolo[2,3-b]pyrazine-5-sulfonamide?
The IUPAC name of 3-fluoro-7-iodo-N,N-dimethylpyrrolo[2,3-b]pyrazine-5-sulfonamide (CID 155673211) is 3-fluoro-7-iodo-N,N-dimethylpyrrolo[2,3-b]pyrazine-5-sulfonamide.
What is the SMILES notation for 3-fluoro-7-iodo-N,N-dimethylpyrrolo[2,3-b]pyrazine-5-sulfonamide?
The canonical SMILES for 3-fluoro-7-iodo-N,N-dimethylpyrrolo[2,3-b]pyrazine-5-sulfonamide is CN(C)S(=O)(=O)n1cc(I)c2ncc(F)nc21.
What is the InChIKey of 3-fluoro-7-iodo-N,N-dimethylpyrrolo[2,3-b]pyrazine-5-sulfonamide?
The InChIKey is VPLQINZPGJGEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FIN4O2S/c1-13(2)17(15,16)14-4-5(10)7-8(14)12-6(9)3-11-7/h3-4H,1-2H3.
What are the key properties of 3-fluoro-7-iodo-N,N-dimethylpyrrolo[2,3-b]pyrazine-5-sulfonamide?
3-fluoro-7-iodo-N,N-dimethylpyrrolo[2,3-b]pyrazine-5-sulfonamide has a molecular weight of 370.15 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-7-iodo-N,N-dimethylpyrrolo[2,3-b]pyrazine-5-sulfonamide is sourced from PubChem (CID 155673211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).