5-fluoro-N-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-sulfonamide

C11H12FN3O3S — CID 119056245

IUPAC5-fluoro-N-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(F)c1S(=O)(=O)Nc1ccc(O)cc1
InChIInChI=1S/C11H12FN3O3S/c1-7-10(11(12)15(2)13-7)19(17,18)14-8-3-5-9(16)6-4-8/h3-6,14,16H,1-2H3
InChIKeyGJNAVOJYAUPLEJ-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.37
Rot. Bonds3

About 5-fluoro-N-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-sulfonamide

5-fluoro-N-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 119056245) has the molecular formula C11H12FN3O3S and a molecular weight of 285.30 g/mol. Its IUPAC name is 5-fluoro-N-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-fluoro-N-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID119056245
Molecular FormulaC11H12FN3O3S
Molecular Weight285.30 g/mol
Exact Mass285.06
IUPAC Name5-fluoro-N-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(F)c1S(=O)(=O)Nc1ccc(O)cc1
InChIInChI=1S/C11H12FN3O3S/c1-7-10(11(12)15(2)13-7)19(17,18)14-8-3-5-9(16)6-4-8/h3-6,14,16H,1-2H3
InChIKeyGJNAVOJYAUPLEJ-UHFFFAOYSA-N
XLogP1.37
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 5-fluoro-N-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-sulfonamide (CID 119056245) is 5-fluoro-N-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 5-fluoro-N-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 5-fluoro-N-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-sulfonamide is Cc1nn(C)c(F)c1S(=O)(=O)Nc1ccc(O)cc1.
What is the InChIKey of 5-fluoro-N-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is GJNAVOJYAUPLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O3S/c1-7-10(11(12)15(2)13-7)19(17,18)14-8-3-5-9(16)6-4-8/h3-6,14,16H,1-2H3.
What are the key properties of 5-fluoro-N-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-sulfonamide?
5-fluoro-N-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 285.30 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 119056245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).