2-cyclobutyl-N-(2,4-difluoro-3-hydroxyphenyl)pyrazole-3-sulfonamide

C13H13F2N3O3S — CID 146144012

IUPAC2-cyclobutyl-N-(2,4-difluoro-3-hydroxyphenyl)pyrazole-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(O)c1F)c1ccnn1C1CCC1
InChIInChI=1S/C13H13F2N3O3S/c14-9-4-5-10(12(15)13(9)19)17-22(20,21)11-6-7-16-18(11)8-2-1-3-8/h4-8,17,19H,1-3H2
InChIKeySDVWMDYULAHFFZ-UHFFFAOYSA-N
MW329.33 g/mol
LogP2.39
Rot. Bonds4

About 2-cyclobutyl-N-(2,4-difluoro-3-hydroxyphenyl)pyrazole-3-sulfonamide

2-cyclobutyl-N-(2,4-difluoro-3-hydroxyphenyl)pyrazole-3-sulfonamide (PubChem CID 146144012) has the molecular formula C13H13F2N3O3S and a molecular weight of 329.33 g/mol. Its IUPAC name is 2-cyclobutyl-N-(2,4-difluoro-3-hydroxyphenyl)pyrazole-3-sulfonamide.

Molecular Properties

Compound Name2-cyclobutyl-N-(2,4-difluoro-3-hydroxyphenyl)pyrazole-3-sulfonamide
PubChem CID146144012
Molecular FormulaC13H13F2N3O3S
Molecular Weight329.33 g/mol
Exact Mass329.06
IUPAC Name2-cyclobutyl-N-(2,4-difluoro-3-hydroxyphenyl)pyrazole-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(O)c1F)c1ccnn1C1CCC1
InChIInChI=1S/C13H13F2N3O3S/c14-9-4-5-10(12(15)13(9)19)17-22(20,21)11-6-7-16-18(11)8-2-1-3-8/h4-8,17,19H,1-3H2
InChIKeySDVWMDYULAHFFZ-UHFFFAOYSA-N
XLogP2.39
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-(2,4-difluoro-3-hydroxyphenyl)pyrazole-3-sulfonamide?
The IUPAC name of 2-cyclobutyl-N-(2,4-difluoro-3-hydroxyphenyl)pyrazole-3-sulfonamide (CID 146144012) is 2-cyclobutyl-N-(2,4-difluoro-3-hydroxyphenyl)pyrazole-3-sulfonamide.
What is the SMILES notation for 2-cyclobutyl-N-(2,4-difluoro-3-hydroxyphenyl)pyrazole-3-sulfonamide?
The canonical SMILES for 2-cyclobutyl-N-(2,4-difluoro-3-hydroxyphenyl)pyrazole-3-sulfonamide is O=S(=O)(Nc1ccc(F)c(O)c1F)c1ccnn1C1CCC1.
What is the InChIKey of 2-cyclobutyl-N-(2,4-difluoro-3-hydroxyphenyl)pyrazole-3-sulfonamide?
The InChIKey is SDVWMDYULAHFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O3S/c14-9-4-5-10(12(15)13(9)19)17-22(20,21)11-6-7-16-18(11)8-2-1-3-8/h4-8,17,19H,1-3H2.
What are the key properties of 2-cyclobutyl-N-(2,4-difluoro-3-hydroxyphenyl)pyrazole-3-sulfonamide?
2-cyclobutyl-N-(2,4-difluoro-3-hydroxyphenyl)pyrazole-3-sulfonamide has a molecular weight of 329.33 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-(2,4-difluoro-3-hydroxyphenyl)pyrazole-3-sulfonamide is sourced from PubChem (CID 146144012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).