methyl 2-fluoro-5-(1H-pyrazol-5-ylsulfonylamino)benzoate

C11H10FN3O4S — CID 102691734

IUPACmethyl 2-fluoro-5-(1H-pyrazol-5-ylsulfonylamino)benzoate
SMILESCOC(=O)c1cc(NS(=O)(=O)c2ccn[nH]2)ccc1F
InChIInChI=1S/C11H10FN3O4S/c1-19-11(16)8-6-7(2-3-9(8)12)15-20(17,18)10-4-5-13-14-10/h2-6,15H,1H3,(H,13,14)
InChIKeyXZKFSZSDHAEYMF-UHFFFAOYSA-N
MW299.28 g/mol
LogP1.14
Rot. Bonds4

About methyl 2-fluoro-5-(1H-pyrazol-5-ylsulfonylamino)benzoate

methyl 2-fluoro-5-(1H-pyrazol-5-ylsulfonylamino)benzoate (PubChem CID 102691734) has the molecular formula C11H10FN3O4S and a molecular weight of 299.28 g/mol. Its IUPAC name is methyl 2-fluoro-5-(1H-pyrazol-5-ylsulfonylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-fluoro-5-(1H-pyrazol-5-ylsulfonylamino)benzoate
PubChem CID102691734
Molecular FormulaC11H10FN3O4S
Molecular Weight299.28 g/mol
Exact Mass299.04
IUPAC Namemethyl 2-fluoro-5-(1H-pyrazol-5-ylsulfonylamino)benzoate
SMILESCOC(=O)c1cc(NS(=O)(=O)c2ccn[nH]2)ccc1F
InChIInChI=1S/C11H10FN3O4S/c1-19-11(16)8-6-7(2-3-9(8)12)15-20(17,18)10-4-5-13-14-10/h2-6,15H,1H3,(H,13,14)
InChIKeyXZKFSZSDHAEYMF-UHFFFAOYSA-N
XLogP1.14
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-[(4-fluorophenyl)methylsulfamoyl]-1H-pyrazole-3-carboxylate
CID 16029619
ethyl 5-[(3-acetylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 20931893
methyl 2-fluoro-6-(1H-pyrazol-4-ylsulfonylamino)benzoate
CID 121583627
methyl 5-fluoro-2-(1H-pyrazol-5-yl)benzoate
CID 67086678
ethyl 5-[(2-fluoro-5-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 46510734
ethyl 5-[(4-fluoro-2-methoxycarbonylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 47051588
2,4-difluoro-5-(1H-pyrazol-4-ylsulfonylamino)benzoic acid
CID 47267597
methyl 4-fluoro-2-(1H-pyrazol-4-ylsulfonylamino)benzoate
CID 47363942
3-(1H-pyrazol-4-ylsulfonylamino)-5-(trifluoromethyl)benzoic acid
CID 51091309
Ethyl 3-{5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-amido}benzoate
CID 53115584
methyl 4-fluoro-2-(1H-indazol-6-ylsulfamoyl)benzoate
CID 53561526
methyl 4-fluoro-2-(1H-indazol-7-ylsulfamoyl)benzoate
CID 53595208

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-5-(1H-pyrazol-5-ylsulfonylamino)benzoate?
The IUPAC name of methyl 2-fluoro-5-(1H-pyrazol-5-ylsulfonylamino)benzoate (CID 102691734) is methyl 2-fluoro-5-(1H-pyrazol-5-ylsulfonylamino)benzoate.
What is the SMILES notation for methyl 2-fluoro-5-(1H-pyrazol-5-ylsulfonylamino)benzoate?
The canonical SMILES for methyl 2-fluoro-5-(1H-pyrazol-5-ylsulfonylamino)benzoate is COC(=O)c1cc(NS(=O)(=O)c2ccn[nH]2)ccc1F.
What is the InChIKey of methyl 2-fluoro-5-(1H-pyrazol-5-ylsulfonylamino)benzoate?
The InChIKey is XZKFSZSDHAEYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O4S/c1-19-11(16)8-6-7(2-3-9(8)12)15-20(17,18)10-4-5-13-14-10/h2-6,15H,1H3,(H,13,14).
What are the key properties of methyl 2-fluoro-5-(1H-pyrazol-5-ylsulfonylamino)benzoate?
methyl 2-fluoro-5-(1H-pyrazol-5-ylsulfonylamino)benzoate has a molecular weight of 299.28 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-5-(1H-pyrazol-5-ylsulfonylamino)benzoate is sourced from PubChem (CID 102691734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).