5-[2-(3-fluorophenyl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid

C12H12FN3O4S — CID 60911925

IUPAC5-[2-(3-fluorophenyl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1S(=O)(=O)NCCc1cccc(F)c1
InChIInChI=1S/C12H12FN3O4S/c13-9-3-1-2-8(6-9)4-5-15-21(19,20)11-10(12(17)18)7-14-16-11/h1-3,6-7,15H,4-5H2,(H,14,16)(H,17,18)
InChIKeyJGJNJYQBLICYOT-UHFFFAOYSA-N
MW313.31 g/mol
LogP0.77
Rot. Bonds6

About 5-[2-(3-fluorophenyl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid

5-[2-(3-fluorophenyl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid (PubChem CID 60911925) has the molecular formula C12H12FN3O4S and a molecular weight of 313.31 g/mol. Its IUPAC name is 5-[2-(3-fluorophenyl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[2-(3-fluorophenyl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
PubChem CID60911925
Molecular FormulaC12H12FN3O4S
Molecular Weight313.31 g/mol
Exact Mass313.05
IUPAC Name5-[2-(3-fluorophenyl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1S(=O)(=O)NCCc1cccc(F)c1
InChIInChI=1S/C12H12FN3O4S/c13-9-3-1-2-8(6-9)4-5-15-21(19,20)11-10(12(17)18)7-14-16-11/h1-3,6-7,15H,4-5H2,(H,14,16)(H,17,18)
InChIKeyJGJNJYQBLICYOT-UHFFFAOYSA-N
XLogP0.77
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(3-methylphenyl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 62314105
5-[(3-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54934258
5-(2-thiophen-3-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 61473154
3-fluoro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
CID 18097170
5-[(3-methoxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60911407
5-(3-aminopropylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 62274009
5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 103004721
5-[2-(cyclopenten-1-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106168086
5-[(4-hydroxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 114331344
5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54934219
5-[2-(2-amino-2-oxoethoxy)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106234889
3-(benzenesulfonamido)-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 18118763

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-fluorophenyl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[2-(3-fluorophenyl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid (CID 60911925) is 5-[2-(3-fluorophenyl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[2-(3-fluorophenyl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[2-(3-fluorophenyl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid is O=C(O)c1cn[nH]c1S(=O)(=O)NCCc1cccc(F)c1.
What is the InChIKey of 5-[2-(3-fluorophenyl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The InChIKey is JGJNJYQBLICYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O4S/c13-9-3-1-2-8(6-9)4-5-15-21(19,20)11-10(12(17)18)7-14-16-11/h1-3,6-7,15H,4-5H2,(H,14,16)(H,17,18).
What are the key properties of 5-[2-(3-fluorophenyl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
5-[2-(3-fluorophenyl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid has a molecular weight of 313.31 g/mol, XLogP of 0.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-fluorophenyl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 60911925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).