4-fluoro-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid

C11H10FN3O4S — CID 60910950

IUPAC4-fluoro-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid
SMILESCc1[nH]ncc1S(=O)(=O)Nc1cc(F)ccc1C(=O)O
InChIInChI=1S/C11H10FN3O4S/c1-6-10(5-13-14-6)20(18,19)15-9-4-7(12)2-3-8(9)11(16)17/h2-5,15H,1H3,(H,13,14)(H,16,17)
InChIKeyHIXITMVTHUOXBM-UHFFFAOYSA-N
MW299.28 g/mol
LogP1.36
Rot. Bonds4

About 4-fluoro-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid

4-fluoro-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid (PubChem CID 60910950) has the molecular formula C11H10FN3O4S and a molecular weight of 299.28 g/mol. Its IUPAC name is 4-fluoro-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid
PubChem CID60910950
Molecular FormulaC11H10FN3O4S
Molecular Weight299.28 g/mol
Exact Mass299.04
IUPAC Name4-fluoro-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid
SMILESCc1[nH]ncc1S(=O)(=O)Nc1cc(F)ccc1C(=O)O
InChIInChI=1S/C11H10FN3O4S/c1-6-10(5-13-14-6)20(18,19)15-9-4-7(12)2-3-8(9)11(16)17/h2-5,15H,1H3,(H,13,14)(H,16,17)
InChIKeyHIXITMVTHUOXBM-UHFFFAOYSA-N
XLogP1.36
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-5-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 63257228
2-methyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid
CID 61275775
3-fluoro-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid
CID 80583821
4-fluoro-2-(sulfamoylamino)benzoic acid
CID 24710459
N-(5-bromo-2-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929733
4-fluoro-2-(methylsulfamoylamino)benzoic acid
CID 114805322
N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 103223919
2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzenesulfonyl fluoride
CID 116814332
2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-4-fluorobenzoic acid
CID 61456671
N-(3-amino-5-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 107334243
N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929959
N-(2-amino-4,6-difluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 81314435

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid?
The IUPAC name of 4-fluoro-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid (CID 60910950) is 4-fluoro-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 4-fluoro-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 4-fluoro-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid is Cc1[nH]ncc1S(=O)(=O)Nc1cc(F)ccc1C(=O)O.
What is the InChIKey of 4-fluoro-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid?
The InChIKey is HIXITMVTHUOXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O4S/c1-6-10(5-13-14-6)20(18,19)15-9-4-7(12)2-3-8(9)11(16)17/h2-5,15H,1H3,(H,13,14)(H,16,17).
What are the key properties of 4-fluoro-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid?
4-fluoro-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid has a molecular weight of 299.28 g/mol, XLogP of 1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 60910950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).