5-fluoro-2-(2-methoxyethylsulfamoylamino)benzoic acid

C10H13FN2O5S — CID 114814358

IUPAC5-fluoro-2-(2-methoxyethylsulfamoylamino)benzoic acid
SMILESCOCCNS(=O)(=O)Nc1ccc(F)cc1C(=O)O
InChIInChI=1S/C10H13FN2O5S/c1-18-5-4-12-19(16,17)13-9-3-2-7(11)6-8(9)10(14)15/h2-3,6,12-13H,4-5H2,1H3,(H,14,15)
InChIKeyWMZZZZNKCNIQOI-UHFFFAOYSA-N
MW292.29 g/mol
LogP0.42
Rot. Bonds7

About 5-fluoro-2-(2-methoxyethylsulfamoylamino)benzoic acid

5-fluoro-2-(2-methoxyethylsulfamoylamino)benzoic acid (PubChem CID 114814358) has the molecular formula C10H13FN2O5S and a molecular weight of 292.29 g/mol. Its IUPAC name is 5-fluoro-2-(2-methoxyethylsulfamoylamino)benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-(2-methoxyethylsulfamoylamino)benzoic acid
PubChem CID114814358
Molecular FormulaC10H13FN2O5S
Molecular Weight292.29 g/mol
Exact Mass292.05
IUPAC Name5-fluoro-2-(2-methoxyethylsulfamoylamino)benzoic acid
SMILESCOCCNS(=O)(=O)Nc1ccc(F)cc1C(=O)O
InChIInChI=1S/C10H13FN2O5S/c1-18-5-4-12-19(16,17)13-9-3-2-7(11)6-8(9)10(14)15/h2-3,6,12-13H,4-5H2,1H3,(H,14,15)
InChIKeyWMZZZZNKCNIQOI-UHFFFAOYSA-N
XLogP0.42
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-(2-methylpropylsulfamoylamino)benzoic acid
CID 114814357
5-fluoro-2-(2-methoxyethylsulfamoylamino)benzonitrile
CID 114815174
4-amino-2-(2-methoxyethylsulfamoylamino)benzoic acid
CID 114814171
2-fluoro-4-(2-methoxyethylsulfamoylamino)benzoic acid
CID 114002122
5-fluoro-2-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid
CID 54530763
4-chloro-3-(2-methoxyethylsulfamoylamino)benzoic acid
CID 114814349
5-fluoro-2-[(2-methoxy-3-methylbutyl)sulfonylamino]benzoic acid
CID 154743988
5-(2-methoxyethylsulfamoylamino)benzene-1,3-dicarboxylic acid
CID 114814430
5-fluoro-2-[(3-hydroxy-4-methoxybutyl)amino]benzoic acid
CID 106248539
2-(2-methoxyethylsulfamoylamino)benzenecarbothioamide
CID 114815185
2-[[butyl(methyl)sulfamoyl]amino]-5-fluorobenzoic acid
CID 43351263
(E)-3-[4-(2-methoxyethylsulfamoylamino)-3-methylphenyl]prop-2-enoic acid
CID 114816706

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-methoxyethylsulfamoylamino)benzoic acid?
The IUPAC name of 5-fluoro-2-(2-methoxyethylsulfamoylamino)benzoic acid (CID 114814358) is 5-fluoro-2-(2-methoxyethylsulfamoylamino)benzoic acid.
What is the SMILES notation for 5-fluoro-2-(2-methoxyethylsulfamoylamino)benzoic acid?
The canonical SMILES for 5-fluoro-2-(2-methoxyethylsulfamoylamino)benzoic acid is COCCNS(=O)(=O)Nc1ccc(F)cc1C(=O)O.
What is the InChIKey of 5-fluoro-2-(2-methoxyethylsulfamoylamino)benzoic acid?
The InChIKey is WMZZZZNKCNIQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O5S/c1-18-5-4-12-19(16,17)13-9-3-2-7(11)6-8(9)10(14)15/h2-3,6,12-13H,4-5H2,1H3,(H,14,15).
What are the key properties of 5-fluoro-2-(2-methoxyethylsulfamoylamino)benzoic acid?
5-fluoro-2-(2-methoxyethylsulfamoylamino)benzoic acid has a molecular weight of 292.29 g/mol, XLogP of 0.42, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-methoxyethylsulfamoylamino)benzoic acid is sourced from PubChem (CID 114814358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).