1-cyclobutyl-N-(6-fluoropyrazin-2-yl)pyrazole-4-sulfonamide

C11H12FN5O2S — CID 138047474

IUPAC1-cyclobutyl-N-(6-fluoropyrazin-2-yl)pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1cncc(F)n1)c1cnn(C2CCC2)c1
InChIInChI=1S/C11H12FN5O2S/c12-10-5-13-6-11(15-10)16-20(18,19)9-4-14-17(7-9)8-2-1-3-8/h4-8H,1-3H2,(H,15,16)
InChIKeyNPDVPVWUYVDCTF-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.34
Rot. Bonds4

About 1-cyclobutyl-N-(6-fluoropyrazin-2-yl)pyrazole-4-sulfonamide

1-cyclobutyl-N-(6-fluoropyrazin-2-yl)pyrazole-4-sulfonamide (PubChem CID 138047474) has the molecular formula C11H12FN5O2S and a molecular weight of 297.31 g/mol. Its IUPAC name is 1-cyclobutyl-N-(6-fluoropyrazin-2-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-cyclobutyl-N-(6-fluoropyrazin-2-yl)pyrazole-4-sulfonamide
PubChem CID138047474
Molecular FormulaC11H12FN5O2S
Molecular Weight297.31 g/mol
Exact Mass297.07
IUPAC Name1-cyclobutyl-N-(6-fluoropyrazin-2-yl)pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1cncc(F)n1)c1cnn(C2CCC2)c1
InChIInChI=1S/C11H12FN5O2S/c12-10-5-13-6-11(15-10)16-20(18,19)9-4-14-17(7-9)8-2-1-3-8/h4-8H,1-3H2,(H,15,16)
InChIKeyNPDVPVWUYVDCTF-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 1-cyclobutyl-N-(6-fluoropyrazin-2-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-cyclobutyl-N-(6-fluoropyrazin-2-yl)pyrazole-4-sulfonamide (CID 138047474) is 1-cyclobutyl-N-(6-fluoropyrazin-2-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-cyclobutyl-N-(6-fluoropyrazin-2-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-cyclobutyl-N-(6-fluoropyrazin-2-yl)pyrazole-4-sulfonamide is O=S(=O)(Nc1cncc(F)n1)c1cnn(C2CCC2)c1.
What is the InChIKey of 1-cyclobutyl-N-(6-fluoropyrazin-2-yl)pyrazole-4-sulfonamide?
The InChIKey is NPDVPVWUYVDCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5O2S/c12-10-5-13-6-11(15-10)16-20(18,19)9-4-14-17(7-9)8-2-1-3-8/h4-8H,1-3H2,(H,15,16).
What are the key properties of 1-cyclobutyl-N-(6-fluoropyrazin-2-yl)pyrazole-4-sulfonamide?
1-cyclobutyl-N-(6-fluoropyrazin-2-yl)pyrazole-4-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 1-cyclobutyl-N-(6-fluoropyrazin-2-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 138047474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).