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

C9H11FN4O2S — CID 163731721

IUPAC3-fluoro-N,N,7-trimethylpyrrolo[2,3-b]pyrazine-5-sulfonamide
SMILESCc1cn(S(=O)(=O)N(C)C)c2nc(F)cnc12
InChIInChI=1S/C9H11FN4O2S/c1-6-5-14(17(15,16)13(2)3)9-8(6)11-4-7(10)12-9/h4-5H,1-3H3
InChIKeyLACZPKIXRYWGQU-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.53
Rot. Bonds2

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

3-fluoro-N,N,7-trimethylpyrrolo[2,3-b]pyrazine-5-sulfonamide (PubChem CID 163731721) has the molecular formula C9H11FN4O2S and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-fluoro-N,N,7-trimethylpyrrolo[2,3-b]pyrazine-5-sulfonamide.

Molecular Properties

Compound Name3-fluoro-N,N,7-trimethylpyrrolo[2,3-b]pyrazine-5-sulfonamide
PubChem CID163731721
Molecular FormulaC9H11FN4O2S
Molecular Weight258.28 g/mol
Exact Mass258.06
IUPAC Name3-fluoro-N,N,7-trimethylpyrrolo[2,3-b]pyrazine-5-sulfonamide
SMILESCc1cn(S(=O)(=O)N(C)C)c2nc(F)cnc12
InChIInChI=1S/C9H11FN4O2S/c1-6-5-14(17(15,16)13(2)3)9-8(6)11-4-7(10)12-9/h4-5H,1-3H3
InChIKeyLACZPKIXRYWGQU-UHFFFAOYSA-N
XLogP0.53
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,N,7-trimethylpyrrolo[2,3-b]pyrazine-5-sulfonamide?
The IUPAC name of 3-fluoro-N,N,7-trimethylpyrrolo[2,3-b]pyrazine-5-sulfonamide (CID 163731721) is 3-fluoro-N,N,7-trimethylpyrrolo[2,3-b]pyrazine-5-sulfonamide.
What is the SMILES notation for 3-fluoro-N,N,7-trimethylpyrrolo[2,3-b]pyrazine-5-sulfonamide?
The canonical SMILES for 3-fluoro-N,N,7-trimethylpyrrolo[2,3-b]pyrazine-5-sulfonamide is Cc1cn(S(=O)(=O)N(C)C)c2nc(F)cnc12.
What is the InChIKey of 3-fluoro-N,N,7-trimethylpyrrolo[2,3-b]pyrazine-5-sulfonamide?
The InChIKey is LACZPKIXRYWGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN4O2S/c1-6-5-14(17(15,16)13(2)3)9-8(6)11-4-7(10)12-9/h4-5H,1-3H3.
What are the key properties of 3-fluoro-N,N,7-trimethylpyrrolo[2,3-b]pyrazine-5-sulfonamide?
3-fluoro-N,N,7-trimethylpyrrolo[2,3-b]pyrazine-5-sulfonamide has a molecular weight of 258.28 g/mol, XLogP of 0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,N,7-trimethylpyrrolo[2,3-b]pyrazine-5-sulfonamide is sourced from PubChem (CID 163731721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).