2-fluoro-4-(2-methoxyethylsulfamoylamino)benzoic acid

C10H13FN2O5S — CID 114002122

IUPAC2-fluoro-4-(2-methoxyethylsulfamoylamino)benzoic acid
SMILESCOCCNS(=O)(=O)Nc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C10H13FN2O5S/c1-18-5-4-12-19(16,17)13-7-2-3-8(10(14)15)9(11)6-7/h2-3,6,12-13H,4-5H2,1H3,(H,14,15)
InChIKeyDEOSSFHZAAQLAH-UHFFFAOYSA-N
MW292.29 g/mol
LogP0.42
Rot. Bonds7

About 2-fluoro-4-(2-methoxyethylsulfamoylamino)benzoic acid

2-fluoro-4-(2-methoxyethylsulfamoylamino)benzoic acid (PubChem CID 114002122) has the molecular formula C10H13FN2O5S and a molecular weight of 292.29 g/mol. Its IUPAC name is 2-fluoro-4-(2-methoxyethylsulfamoylamino)benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-(2-methoxyethylsulfamoylamino)benzoic acid
PubChem CID114002122
Molecular FormulaC10H13FN2O5S
Molecular Weight292.29 g/mol
Exact Mass292.05
IUPAC Name2-fluoro-4-(2-methoxyethylsulfamoylamino)benzoic acid
SMILESCOCCNS(=O)(=O)Nc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C10H13FN2O5S/c1-18-5-4-12-19(16,17)13-7-2-3-8(10(14)15)9(11)6-7/h2-3,6,12-13H,4-5H2,1H3,(H,14,15)
InChIKeyDEOSSFHZAAQLAH-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-methoxyethylsulfamoylamino)benzoic acid
CID 114814358
5-(2-methoxyethylsulfamoylamino)benzene-1,3-dicarboxylic acid
CID 114814430
4-amino-2-(2-methoxyethylsulfamoylamino)benzoic acid
CID 114814171
4-(3-aminoprop-1-ynyl)-3-fluoro-N-(2-methoxyethylsulfamoyl)aniline
CID 114816543
2-methoxy-4-(propylsulfamoylamino)benzoic acid
CID 107208921
2-fluoro-4-(sulfamoylamino)benzoic acid
CID 107793195
2-[4-(2-methoxyethylsulfamoylamino)phenyl]-2-methylpropanoic acid
CID 114814756
4-bromo-1-N-(2-methoxyethylsulfamoyl)benzene-1,3-diamine
CID 114814198
2-fluoro-4-(trifluoromethylsulfonylamino)benzoic acid
CID 58727995
2-methoxy-4-N-(2-methoxyethylsulfamoyl)benzene-1,4-diamine
CID 114815986
2-fluoro-4-[(5-methoxy-2-methylphenyl)sulfonylamino]benzoic acid
CID 166229174
ethyl 4-(2-methoxyethylsulfamoylamino)benzoate
CID 114816306

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(2-methoxyethylsulfamoylamino)benzoic acid?
The IUPAC name of 2-fluoro-4-(2-methoxyethylsulfamoylamino)benzoic acid (CID 114002122) is 2-fluoro-4-(2-methoxyethylsulfamoylamino)benzoic acid.
What is the SMILES notation for 2-fluoro-4-(2-methoxyethylsulfamoylamino)benzoic acid?
The canonical SMILES for 2-fluoro-4-(2-methoxyethylsulfamoylamino)benzoic acid is COCCNS(=O)(=O)Nc1ccc(C(=O)O)c(F)c1.
What is the InChIKey of 2-fluoro-4-(2-methoxyethylsulfamoylamino)benzoic acid?
The InChIKey is DEOSSFHZAAQLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O5S/c1-18-5-4-12-19(16,17)13-7-2-3-8(10(14)15)9(11)6-7/h2-3,6,12-13H,4-5H2,1H3,(H,14,15).
What are the key properties of 2-fluoro-4-(2-methoxyethylsulfamoylamino)benzoic acid?
2-fluoro-4-(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 2-fluoro-4-(2-methoxyethylsulfamoylamino)benzoic acid is sourced from PubChem (CID 114002122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).