3-fluoro-4-[(2-methoxy-2-oxoethyl)sulfamoyl]benzoic acid

C10H10FNO6S — CID 79187630

IUPAC3-fluoro-4-[(2-methoxy-2-oxoethyl)sulfamoyl]benzoic acid
SMILESCOC(=O)CNS(=O)(=O)c1ccc(C(=O)O)cc1F
InChIInChI=1S/C10H10FNO6S/c1-18-9(13)5-12-19(16,17)8-3-2-6(10(14)15)4-7(8)11/h2-4,12H,5H2,1H3,(H,14,15)
InChIKeyDWBHXTCLUCXGLW-UHFFFAOYSA-N
MW291.26 g/mol
LogP-0.02
Rot. Bonds5

About 3-fluoro-4-[(2-methoxy-2-oxoethyl)sulfamoyl]benzoic acid

3-fluoro-4-[(2-methoxy-2-oxoethyl)sulfamoyl]benzoic acid (PubChem CID 79187630) has the molecular formula C10H10FNO6S and a molecular weight of 291.26 g/mol. Its IUPAC name is 3-fluoro-4-[(2-methoxy-2-oxoethyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-fluoro-4-[(2-methoxy-2-oxoethyl)sulfamoyl]benzoic acid
PubChem CID79187630
Molecular FormulaC10H10FNO6S
Molecular Weight291.26 g/mol
Exact Mass291.02
IUPAC Name3-fluoro-4-[(2-methoxy-2-oxoethyl)sulfamoyl]benzoic acid
SMILESCOC(=O)CNS(=O)(=O)c1ccc(C(=O)O)cc1F
InChIInChI=1S/C10H10FNO6S/c1-18-9(13)5-12-19(16,17)8-3-2-6(10(14)15)4-7(8)11/h2-4,12H,5H2,1H3,(H,14,15)
InChIKeyDWBHXTCLUCXGLW-UHFFFAOYSA-N
XLogP-0.02
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 ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-4-[(3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid
CID 79187850
3-bromo-4-[(2-methoxy-2-oxoethyl)sulfamoyl]benzoic acid
CID 28540514
3-fluoro-4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid
CID 107216404
methyl 2-[[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]acetate
CID 116528933
4-[2-(carbamoylamino)ethylsulfamoyl]-3-fluorobenzoic acid
CID 83116387
3-fluoro-4-[(2-hydroxy-2-methylpentyl)sulfamoyl]benzoic acid
CID 106290816
4-[(4-amino-4-oxobutyl)sulfamoyl]-3-fluorobenzoic acid
CID 79187711
3-fluoro-4-(4-hydroxypentylsulfamoyl)benzoic acid
CID 106120547
3-fluoro-4-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid
CID 63190339
4-fluoro-3-(2-methylprop-2-enylsulfamoyl)benzoic acid
CID 114615373
3-fluoro-4-[(5-methylthiophen-2-yl)methylsulfamoyl]benzoic acid
CID 79177879
3-fluoro-4-(2-pyrrol-1-ylethylsulfamoyl)benzoic acid
CID 106390664

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(2-methoxy-2-oxoethyl)sulfamoyl]benzoic acid?
The IUPAC name of 3-fluoro-4-[(2-methoxy-2-oxoethyl)sulfamoyl]benzoic acid (CID 79187630) is 3-fluoro-4-[(2-methoxy-2-oxoethyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3-fluoro-4-[(2-methoxy-2-oxoethyl)sulfamoyl]benzoic acid?
The canonical SMILES for 3-fluoro-4-[(2-methoxy-2-oxoethyl)sulfamoyl]benzoic acid is COC(=O)CNS(=O)(=O)c1ccc(C(=O)O)cc1F.
What is the InChIKey of 3-fluoro-4-[(2-methoxy-2-oxoethyl)sulfamoyl]benzoic acid?
The InChIKey is DWBHXTCLUCXGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO6S/c1-18-9(13)5-12-19(16,17)8-3-2-6(10(14)15)4-7(8)11/h2-4,12H,5H2,1H3,(H,14,15).
What are the key properties of 3-fluoro-4-[(2-methoxy-2-oxoethyl)sulfamoyl]benzoic acid?
3-fluoro-4-[(2-methoxy-2-oxoethyl)sulfamoyl]benzoic acid has a molecular weight of 291.26 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(2-methoxy-2-oxoethyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 79187630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).