5-[(2,3-difluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid

C10H7F2N3O4S — CID 61075738

IUPAC5-[(2,3-difluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1S(=O)(=O)Nc1cccc(F)c1F
InChIInChI=1S/C10H7F2N3O4S/c11-6-2-1-3-7(8(6)12)15-20(18,19)9-5(10(16)17)4-13-14-9/h1-4,15H,(H,13,14)(H,16,17)
InChIKeyQRFHAVWIFYLNOH-UHFFFAOYSA-N
MW303.25 g/mol
LogP1.19
Rot. Bonds4

About 5-[(2,3-difluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid

5-[(2,3-difluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (PubChem CID 61075738) has the molecular formula C10H7F2N3O4S and a molecular weight of 303.25 g/mol. Its IUPAC name is 5-[(2,3-difluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(2,3-difluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
PubChem CID61075738
Molecular FormulaC10H7F2N3O4S
Molecular Weight303.25 g/mol
Exact Mass303.01
IUPAC Name5-[(2,3-difluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1S(=O)(=O)Nc1cccc(F)c1F
InChIInChI=1S/C10H7F2N3O4S/c11-6-2-1-3-7(8(6)12)15-20(18,19)9-5(10(16)17)4-13-14-9/h1-4,15H,(H,13,14)(H,16,17)
InChIKeyQRFHAVWIFYLNOH-UHFFFAOYSA-N
XLogP1.19
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.25
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,3,4-trifluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60911015
5-[(3-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54934258
5-[(5-bromo-2,4-difluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 102852558
5-amino-N-(2,3-difluorophenyl)-1H-pyrazole-4-sulfonamide
CID 61076416
5-[[2-(methylaminomethyl)phenyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 61403636
5-[[2-(dimethylamino)-3-pyridinyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60912283
5-[(3,5-dichloro-4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 107571644
5-[(4-fluoro-3-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 62811098
3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorobenzoic acid
CID 71269303
5-[(4-bromo-2,3-dichlorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 107787367
5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54934211
5-(2,3-difluorophenyl)-1H-pyrazole-4-carboxylic acid
CID 83810701

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-difluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[(2,3-difluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (CID 61075738) is 5-[(2,3-difluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[(2,3-difluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[(2,3-difluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is O=C(O)c1cn[nH]c1S(=O)(=O)Nc1cccc(F)c1F.
What is the InChIKey of 5-[(2,3-difluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The InChIKey is QRFHAVWIFYLNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3O4S/c11-6-2-1-3-7(8(6)12)15-20(18,19)9-5(10(16)17)4-13-14-9/h1-4,15H,(H,13,14)(H,16,17).
What are the key properties of 5-[(2,3-difluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
5-[(2,3-difluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid has a molecular weight of 303.25 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-difluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 61075738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).