5-(2-methoxyethylsulfamoylamino)benzene-1,3-dicarboxylic acid

C11H14N2O7S — CID 114814430

IUPAC5-(2-methoxyethylsulfamoylamino)benzene-1,3-dicarboxylic acid
SMILESCOCCNS(=O)(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1
InChIInChI=1S/C11H14N2O7S/c1-20-3-2-12-21(18,19)13-9-5-7(10(14)15)4-8(6-9)11(16)17/h4-6,12-13H,2-3H2,1H3,(H,14,15)(H,16,17)
InChIKeyUPJBDULSUHBMNV-UHFFFAOYSA-N
MW318.31 g/mol
LogP-0.02
Rot. Bonds8

About 5-(2-methoxyethylsulfamoylamino)benzene-1,3-dicarboxylic acid

5-(2-methoxyethylsulfamoylamino)benzene-1,3-dicarboxylic acid (PubChem CID 114814430) has the molecular formula C11H14N2O7S and a molecular weight of 318.31 g/mol. Its IUPAC name is 5-(2-methoxyethylsulfamoylamino)benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-(2-methoxyethylsulfamoylamino)benzene-1,3-dicarboxylic acid
PubChem CID114814430
Molecular FormulaC11H14N2O7S
Molecular Weight318.31 g/mol
Exact Mass318.05
IUPAC Name5-(2-methoxyethylsulfamoylamino)benzene-1,3-dicarboxylic acid
SMILESCOCCNS(=O)(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1
InChIInChI=1S/C11H14N2O7S/c1-20-3-2-12-21(18,19)13-9-5-7(10(14)15)4-8(6-9)11(16)17/h4-6,12-13H,2-3H2,1H3,(H,14,15)(H,16,17)
InChIKeyUPJBDULSUHBMNV-UHFFFAOYSA-N
XLogP-0.02
TPSA142.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 5-0.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-(2-methoxyethylsulfamoylamino)benzoic acid
CID 114814349
2-fluoro-4-(2-methoxyethylsulfamoylamino)benzoic acid
CID 114002122
2-[4-(2-methoxyethylsulfamoylamino)phenyl]-2-methylpropanoic acid
CID 114814756
5-(2-methoxyethylsulfamoylamino)-3-methylthiophene-2-carboxylic acid
CID 114814326
ethyl 4-(2-methoxyethylsulfamoylamino)benzoate
CID 114816306
3-bromo-5-(ethylsulfamoylamino)benzoic acid
CID 114806789
3-[(2-methoxyethylsulfamoylamino)methyl]benzoic acid
CID 114814467
5-[[2-(2-methoxyethylamino)acetyl]amino]benzene-1,3-dicarboxylic acid
CID 79271306
5-fluoro-2-(2-methoxyethylsulfamoylamino)benzoic acid
CID 114814358
4-amino-2-(2-methoxyethylsulfamoylamino)benzoic acid
CID 114814171
4-bromo-1-N-(2-methoxyethylsulfamoyl)benzene-1,3-diamine
CID 114814198
3-(ethylsulfamoylamino)-5-(trifluoromethyl)benzoic acid
CID 114805782

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethylsulfamoylamino)benzene-1,3-dicarboxylic acid?
The IUPAC name of 5-(2-methoxyethylsulfamoylamino)benzene-1,3-dicarboxylic acid (CID 114814430) is 5-(2-methoxyethylsulfamoylamino)benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 5-(2-methoxyethylsulfamoylamino)benzene-1,3-dicarboxylic acid?
The canonical SMILES for 5-(2-methoxyethylsulfamoylamino)benzene-1,3-dicarboxylic acid is COCCNS(=O)(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1.
What is the InChIKey of 5-(2-methoxyethylsulfamoylamino)benzene-1,3-dicarboxylic acid?
The InChIKey is UPJBDULSUHBMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O7S/c1-20-3-2-12-21(18,19)13-9-5-7(10(14)15)4-8(6-9)11(16)17/h4-6,12-13H,2-3H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-(2-methoxyethylsulfamoylamino)benzene-1,3-dicarboxylic acid?
5-(2-methoxyethylsulfamoylamino)benzene-1,3-dicarboxylic acid has a molecular weight of 318.31 g/mol, XLogP of -0.02, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethylsulfamoylamino)benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 114814430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).