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

C10H10FNO6S — CID 61359529

IUPAC2-fluoro-5-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid
SMILESCOC(=O)CS(=O)(=O)Nc1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C10H10FNO6S/c1-18-9(13)5-19(16,17)12-6-2-3-8(11)7(4-6)10(14)15/h2-4,12H,5H2,1H3,(H,14,15)
InChIKeyFMOGXFCHQCVXMJ-UHFFFAOYSA-N
MW291.26 g/mol
LogP0.44
Rot. Bonds5

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

2-fluoro-5-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid (PubChem CID 61359529) has the molecular formula C10H10FNO6S and a molecular weight of 291.26 g/mol. Its IUPAC name is 2-fluoro-5-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid
PubChem CID61359529
Molecular FormulaC10H10FNO6S
Molecular Weight291.26 g/mol
Exact Mass291.02
IUPAC Name2-fluoro-5-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid
SMILESCOC(=O)CS(=O)(=O)Nc1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C10H10FNO6S/c1-18-9(13)5-19(16,17)12-6-2-3-8(11)7(4-6)10(14)15/h2-4,12H,5H2,1H3,(H,14,15)
InChIKeyFMOGXFCHQCVXMJ-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

5-fluoro-2-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid
CID 54530763
5-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-hydroxybenzoic acid
CID 61456896
3-fluoro-4-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid
CID 63190339
ethyl 2-[(3-bromo-4-fluorophenyl)sulfamoyl]acetate
CID 113452283
5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-fluorobenzoic acid
CID 60728615
methyl 2-[[3-(methylaminomethyl)phenyl]sulfamoyl]acetate
CID 55124931
methyl 2-(1,2,3,4-tetrahydroquinolin-6-ylsulfamoyl)acetate
CID 55173042
2-fluoro-5-(3-methoxyanilino)benzoic acid
CID 82537034
methyl 2-[(5-amino-2,4-difluorophenyl)sulfamoyl]acetate
CID 54952675
5-[(4-ethoxynaphthalen-1-yl)sulfonylamino]-2-fluorobenzoic acid
CID 155532593
5-(2-carboxyethylamino)-2-fluorobenzoic acid
CID 82539644
2-methyl-5-(propylsulfonylamino)benzoic acid
CID 63653698

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid?
The IUPAC name of 2-fluoro-5-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid (CID 61359529) is 2-fluoro-5-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 2-fluoro-5-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid?
The canonical SMILES for 2-fluoro-5-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid is COC(=O)CS(=O)(=O)Nc1ccc(F)c(C(=O)O)c1.
What is the InChIKey of 2-fluoro-5-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid?
The InChIKey is FMOGXFCHQCVXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO6S/c1-18-9(13)5-19(16,17)12-6-2-3-8(11)7(4-6)10(14)15/h2-4,12H,5H2,1H3,(H,14,15).
What are the key properties of 2-fluoro-5-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid?
2-fluoro-5-[(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 2-fluoro-5-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 61359529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).