2-fluoro-4-(1H-pyrazol-4-ylsulfonylamino)benzoic acid

C10H8FN3O4S — CID 103847505

IUPAC2-fluoro-4-(1H-pyrazol-4-ylsulfonylamino)benzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2cn[nH]c2)cc1F
InChIInChI=1S/C10H8FN3O4S/c11-9-3-6(1-2-8(9)10(15)16)14-19(17,18)7-4-12-13-5-7/h1-5,14H,(H,12,13)(H,15,16)
InChIKeyKOWZPKVZDJOIBX-UHFFFAOYSA-N
MW285.26 g/mol
LogP1.05
Rot. Bonds4

About 2-fluoro-4-(1H-pyrazol-4-ylsulfonylamino)benzoic acid

2-fluoro-4-(1H-pyrazol-4-ylsulfonylamino)benzoic acid (PubChem CID 103847505) has the molecular formula C10H8FN3O4S and a molecular weight of 285.26 g/mol. Its IUPAC name is 2-fluoro-4-(1H-pyrazol-4-ylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-(1H-pyrazol-4-ylsulfonylamino)benzoic acid
PubChem CID103847505
Molecular FormulaC10H8FN3O4S
Molecular Weight285.26 g/mol
Exact Mass285.02
IUPAC Name2-fluoro-4-(1H-pyrazol-4-ylsulfonylamino)benzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2cn[nH]c2)cc1F
InChIInChI=1S/C10H8FN3O4S/c11-9-3-6(1-2-8(9)10(15)16)14-19(17,18)7-4-12-13-5-7/h1-5,14H,(H,12,13)(H,15,16)
InChIKeyKOWZPKVZDJOIBX-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

N-(3,4-difluorophenyl)-1H-pyrazole-4-sulfonamide
CID 60912012
3-[2-fluoro-4-(1H-pyrazol-4-ylsulfonylamino)phenyl]prop-2-enoic acid
CID 77069486
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1H-pyrazole-4-sulfonamide
CID 60933682
N-(3-bromo-4-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 115663189
5-(1H-pyrazol-4-ylsulfonylamino)benzene-1,3-dicarboxylic acid
CID 60916897
2-fluoro-4-(sulfamoylamino)benzoic acid
CID 107793195
2-fluoro-4-(trifluoromethylsulfonylamino)benzoic acid
CID 58727995
3-[2-methyl-5-(1H-pyrazol-4-ylsulfonylamino)phenyl]prop-2-enoic acid
CID 77011648
N-[4-(aminomethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 54936916
4-[(3,4-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 28525667
1-methyl-3-[4-(1H-pyrazol-4-ylsulfonylamino)phenyl]urea
CID 47364024
N-(4-amino-3-bromophenyl)-1H-pyrazole-4-sulfonamide
CID 82861812

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(1H-pyrazol-4-ylsulfonylamino)benzoic acid?
The IUPAC name of 2-fluoro-4-(1H-pyrazol-4-ylsulfonylamino)benzoic acid (CID 103847505) is 2-fluoro-4-(1H-pyrazol-4-ylsulfonylamino)benzoic acid.
What is the SMILES notation for 2-fluoro-4-(1H-pyrazol-4-ylsulfonylamino)benzoic acid?
The canonical SMILES for 2-fluoro-4-(1H-pyrazol-4-ylsulfonylamino)benzoic acid is O=C(O)c1ccc(NS(=O)(=O)c2cn[nH]c2)cc1F.
What is the InChIKey of 2-fluoro-4-(1H-pyrazol-4-ylsulfonylamino)benzoic acid?
The InChIKey is KOWZPKVZDJOIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O4S/c11-9-3-6(1-2-8(9)10(15)16)14-19(17,18)7-4-12-13-5-7/h1-5,14H,(H,12,13)(H,15,16).
What are the key properties of 2-fluoro-4-(1H-pyrazol-4-ylsulfonylamino)benzoic acid?
2-fluoro-4-(1H-pyrazol-4-ylsulfonylamino)benzoic 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 2-fluoro-4-(1H-pyrazol-4-ylsulfonylamino)benzoic acid is sourced from PubChem (CID 103847505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).