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

C10H8FN3O4S — CID 54934258

IUPAC5-[(3-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1S(=O)(=O)Nc1cccc(F)c1
InChIInChI=1S/C10H8FN3O4S/c11-6-2-1-3-7(4-6)14-19(17,18)9-8(10(15)16)5-12-13-9/h1-5,14H,(H,12,13)(H,15,16)
InChIKeyDHPGJMGSCWJJEX-UHFFFAOYSA-N
MW285.26 g/mol
LogP1.05
Rot. Bonds4

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

5-[(3-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (PubChem CID 54934258) has the molecular formula C10H8FN3O4S and a molecular weight of 285.26 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(3-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
PubChem CID54934258
Molecular FormulaC10H8FN3O4S
Molecular Weight285.26 g/mol
Exact Mass285.02
IUPAC Name5-[(3-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1S(=O)(=O)Nc1cccc(F)c1
InChIInChI=1S/C10H8FN3O4S/c11-6-2-1-3-7(4-6)14-19(17,18)9-8(10(15)16)5-12-13-9/h1-5,14H,(H,12,13)(H,15,16)
InChIKeyDHPGJMGSCWJJEX-UHFFFAOYSA-N
XLogP1.05
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-fluoro-5-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 79054686
5-[(3-ethynylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60910898
5-[(4-fluoro-3-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 62811098
N-(3-fluorophenyl)-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115538
5-[2-(3-fluorophenyl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60911925
5-[(3,5-dichloro-4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 107571644
5-[(2,3-difluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 61075738
5-(1H-indazol-5-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 60912281
5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54934211
5-(thiophen-3-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 66351046
5-[(4-fluorophenyl)sulfamoyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 53115687
5-[(2,3,4-trifluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60911015

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[(3-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (CID 54934258) is 5-[(3-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[(3-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[(3-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is O=C(O)c1cn[nH]c1S(=O)(=O)Nc1cccc(F)c1.
What is the InChIKey of 5-[(3-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The InChIKey is DHPGJMGSCWJJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O4S/c11-6-2-1-3-7(4-6)14-19(17,18)9-8(10(15)16)5-12-13-9/h1-5,14H,(H,12,13)(H,15,16).
What are the key properties of 5-[(3-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
5-[(3-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid has a molecular weight of 285.26 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 54934258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).