2-cyclobutyl-N-(6-fluoropyrazin-2-yl)pyrazole-3-sulfonamide

C11H12FN5O2S — CID 138047473

IUPAC2-cyclobutyl-N-(6-fluoropyrazin-2-yl)pyrazole-3-sulfonamide
SMILESO=S(=O)(Nc1cncc(F)n1)c1ccnn1C1CCC1
InChIInChI=1S/C11H12FN5O2S/c12-9-6-13-7-10(15-9)16-20(18,19)11-4-5-14-17(11)8-2-1-3-8/h4-8H,1-3H2,(H,15,16)
InChIKeyJVQPBMFULYJCEY-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.34
Rot. Bonds4

About 2-cyclobutyl-N-(6-fluoropyrazin-2-yl)pyrazole-3-sulfonamide

2-cyclobutyl-N-(6-fluoropyrazin-2-yl)pyrazole-3-sulfonamide (PubChem CID 138047473) has the molecular formula C11H12FN5O2S and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-cyclobutyl-N-(6-fluoropyrazin-2-yl)pyrazole-3-sulfonamide.

Molecular Properties

Compound Name2-cyclobutyl-N-(6-fluoropyrazin-2-yl)pyrazole-3-sulfonamide
PubChem CID138047473
Molecular FormulaC11H12FN5O2S
Molecular Weight297.31 g/mol
Exact Mass297.07
IUPAC Name2-cyclobutyl-N-(6-fluoropyrazin-2-yl)pyrazole-3-sulfonamide
SMILESO=S(=O)(Nc1cncc(F)n1)c1ccnn1C1CCC1
InChIInChI=1S/C11H12FN5O2S/c12-9-6-13-7-10(15-9)16-20(18,19)11-4-5-14-17(11)8-2-1-3-8/h4-8H,1-3H2,(H,15,16)
InChIKeyJVQPBMFULYJCEY-UHFFFAOYSA-N
XLogP1.34
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-(6-fluoropyrazin-2-yl)pyrazole-3-sulfonamide?
The IUPAC name of 2-cyclobutyl-N-(6-fluoropyrazin-2-yl)pyrazole-3-sulfonamide (CID 138047473) is 2-cyclobutyl-N-(6-fluoropyrazin-2-yl)pyrazole-3-sulfonamide.
What is the SMILES notation for 2-cyclobutyl-N-(6-fluoropyrazin-2-yl)pyrazole-3-sulfonamide?
The canonical SMILES for 2-cyclobutyl-N-(6-fluoropyrazin-2-yl)pyrazole-3-sulfonamide is O=S(=O)(Nc1cncc(F)n1)c1ccnn1C1CCC1.
What is the InChIKey of 2-cyclobutyl-N-(6-fluoropyrazin-2-yl)pyrazole-3-sulfonamide?
The InChIKey is JVQPBMFULYJCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5O2S/c12-9-6-13-7-10(15-9)16-20(18,19)11-4-5-14-17(11)8-2-1-3-8/h4-8H,1-3H2,(H,15,16).
What are the key properties of 2-cyclobutyl-N-(6-fluoropyrazin-2-yl)pyrazole-3-sulfonamide?
2-cyclobutyl-N-(6-fluoropyrazin-2-yl)pyrazole-3-sulfonamide has a molecular weight of 297.31 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-(6-fluoropyrazin-2-yl)pyrazole-3-sulfonamide is sourced from PubChem (CID 138047473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).