5-fluoro-2-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid

C10H10FNO6S — CID 54530763

IUPAC5-fluoro-2-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid
SMILESCOC(=O)CS(=O)(=O)Nc1ccc(F)cc1C(=O)O
InChIInChI=1S/C10H10FNO6S/c1-18-9(13)5-19(16,17)12-8-3-2-6(11)4-7(8)10(14)15/h2-4,12H,5H2,1H3,(H,14,15)
InChIKeyYWIZJIUMSOCIEX-UHFFFAOYSA-N
MW291.26 g/mol
LogP0.44
Rot. Bonds5

About 5-fluoro-2-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid

5-fluoro-2-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid (PubChem CID 54530763) has the molecular formula C10H10FNO6S and a molecular weight of 291.26 g/mol. Its IUPAC name is 5-fluoro-2-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid
PubChem CID54530763
Molecular FormulaC10H10FNO6S
Molecular Weight291.26 g/mol
Exact Mass291.02
IUPAC Name5-fluoro-2-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid
SMILESCOC(=O)CS(=O)(=O)Nc1ccc(F)cc1C(=O)O
InChIInChI=1S/C10H10FNO6S/c1-18-9(13)5-19(16,17)12-8-3-2-6(11)4-7(8)10(14)15/h2-4,12H,5H2,1H3,(H,14,15)
InChIKeyYWIZJIUMSOCIEX-UHFFFAOYSA-N
XLogP0.44
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-4-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid
CID 63190339
2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-4-fluorobenzoic acid
CID 61456671
5-fluoro-2-[(2-methoxy-3-methylbutyl)sulfonylamino]benzoic acid
CID 154743988
2-fluoro-5-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid
CID 61359529
5-fluoro-2-(2-methoxyethylsulfamoylamino)benzoic acid
CID 114814358
5-fluoro-2-(2-methylpropylsulfamoylamino)benzoic acid
CID 114814357
methyl 3-[(4-fluoro-2-hydroxyphenyl)sulfamoyl]propanoate
CID 63675600
methyl 2-[(2-hydroxy-4-methylphenyl)sulfamoyl]acetate
CID 54952049
methyl 2-[(2-bromo-4-methylphenyl)sulfamoyl]acetate
CID 61359151
methyl 2-[(5-amino-2,4-difluorophenyl)sulfamoyl]acetate
CID 54952675
2-[[butyl(methyl)sulfamoyl]amino]-5-fluorobenzoic acid
CID 43351263
methyl 2-[(3-chloro-2-methylpropyl)sulfonylamino]-5-fluorobenzoate
CID 79585945

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid?
The IUPAC name of 5-fluoro-2-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid (CID 54530763) is 5-fluoro-2-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 5-fluoro-2-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid?
The canonical SMILES for 5-fluoro-2-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid is COC(=O)CS(=O)(=O)Nc1ccc(F)cc1C(=O)O.
What is the InChIKey of 5-fluoro-2-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid?
The InChIKey is YWIZJIUMSOCIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO6S/c1-18-9(13)5-19(16,17)12-8-3-2-6(11)4-7(8)10(14)15/h2-4,12H,5H2,1H3,(H,14,15).
What are the key properties of 5-fluoro-2-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid?
5-fluoro-2-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid has a molecular weight of 291.26 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 54530763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).