1-ethyl-5-fluoro-N-(3-hydroxyphenyl)-3-methylpyrazole-4-sulfonamide

C12H14FN3O3S — CID 119056271

IUPAC1-ethyl-5-fluoro-N-(3-hydroxyphenyl)-3-methylpyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)Nc2cccc(O)c2)c1F
InChIInChI=1S/C12H14FN3O3S/c1-3-16-12(13)11(8(2)14-16)20(18,19)15-9-5-4-6-10(17)7-9/h4-7,15,17H,3H2,1-2H3
InChIKeyFQRYPDYLGMXHSB-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.86
Rot. Bonds4

About 1-ethyl-5-fluoro-N-(3-hydroxyphenyl)-3-methylpyrazole-4-sulfonamide

1-ethyl-5-fluoro-N-(3-hydroxyphenyl)-3-methylpyrazole-4-sulfonamide (PubChem CID 119056271) has the molecular formula C12H14FN3O3S and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-ethyl-5-fluoro-N-(3-hydroxyphenyl)-3-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-5-fluoro-N-(3-hydroxyphenyl)-3-methylpyrazole-4-sulfonamide
PubChem CID119056271
Molecular FormulaC12H14FN3O3S
Molecular Weight299.33 g/mol
Exact Mass299.07
IUPAC Name1-ethyl-5-fluoro-N-(3-hydroxyphenyl)-3-methylpyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)Nc2cccc(O)c2)c1F
InChIInChI=1S/C12H14FN3O3S/c1-3-16-12(13)11(8(2)14-16)20(18,19)15-9-5-4-6-10(17)7-9/h4-7,15,17H,3H2,1-2H3
InChIKeyFQRYPDYLGMXHSB-UHFFFAOYSA-N
XLogP1.86
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-(3-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide
CID 107326957
1-(2-aminoethyl)-N-(3-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 106060638
3-amino-1-ethyl-N-(3-hydroxyphenyl)pyrazole-4-sulfonamide
CID 61167291
1-ethyl-3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazole-4-sulfonamide
CID 122286063
3-amino-N-(3-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide
CID 61166903
N-(3-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62066248
N-(2,5-difluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
CID 51699026
1-ethyl-3,5-dimethyl-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide
CID 122284373
4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylamino]-N-methylbenzamide
CID 71688203
N-[3-[(3-hydroxyphenyl)sulfamoyl]-2,4,6-trimethylphenyl]acetamide
CID 2996267
3-amino-4-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 61166904
N-(3-acetylphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 53075839

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-fluoro-N-(3-hydroxyphenyl)-3-methylpyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-5-fluoro-N-(3-hydroxyphenyl)-3-methylpyrazole-4-sulfonamide (CID 119056271) is 1-ethyl-5-fluoro-N-(3-hydroxyphenyl)-3-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-5-fluoro-N-(3-hydroxyphenyl)-3-methylpyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-5-fluoro-N-(3-hydroxyphenyl)-3-methylpyrazole-4-sulfonamide is CCn1nc(C)c(S(=O)(=O)Nc2cccc(O)c2)c1F.
What is the InChIKey of 1-ethyl-5-fluoro-N-(3-hydroxyphenyl)-3-methylpyrazole-4-sulfonamide?
The InChIKey is FQRYPDYLGMXHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3S/c1-3-16-12(13)11(8(2)14-16)20(18,19)15-9-5-4-6-10(17)7-9/h4-7,15,17H,3H2,1-2H3.
What are the key properties of 1-ethyl-5-fluoro-N-(3-hydroxyphenyl)-3-methylpyrazole-4-sulfonamide?
1-ethyl-5-fluoro-N-(3-hydroxyphenyl)-3-methylpyrazole-4-sulfonamide has a molecular weight of 299.33 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-fluoro-N-(3-hydroxyphenyl)-3-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 119056271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).