4-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]benzoic acid

C13H20N2O5S — CID 62843991

IUPAC4-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]benzoic acid
SMILESCOCCN(C)CCNS(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C13H20N2O5S/c1-15(9-10-20-2)8-7-14-21(18,19)12-5-3-11(4-6-12)13(16)17/h3-6,14H,7-10H2,1-2H3,(H,16,17)
InChIKeyQZAVFEKKCCVYFV-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.24
Rot. Bonds9

About 4-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]benzoic acid

4-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]benzoic acid (PubChem CID 62843991) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is 4-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]benzoic acid
PubChem CID62843991
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Name4-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]benzoic acid
SMILESCOCCN(C)CCNS(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C13H20N2O5S/c1-15(9-10-20-2)8-7-14-21(18,19)12-5-3-11(4-6-12)13(16)17/h3-6,14H,7-10H2,1-2H3,(H,16,17)
InChIKeyQZAVFEKKCCVYFV-UHFFFAOYSA-N
XLogP0.24
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62845055
4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]benzoic acid
CID 62850824
4-amino-3-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 82844183
2-[[4-(2-methoxyethylsulfamoyl)benzoyl]-methylamino]acetic acid
CID 119172393
4-(2-propan-2-yloxyethylsulfamoyl)benzoic acid
CID 113449953
4-(2-hydroxyethylsulfamoyl)benzoic acid
CID 15944537
2-[5-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]thiophen-2-yl]acetic acid
CID 62844503
N-(2-methoxyethyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113053213
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62850113
N-(2-methoxyethyl)-4-propanoylbenzenesulfonamide
CID 82164431
4-[2-(2-methylpropoxy)ethylsulfamoyl]benzoic acid
CID 115588284
N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-N-(2-methoxyethyl)acetamide
CID 113053214

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]benzoic acid?
The IUPAC name of 4-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]benzoic acid (CID 62843991) is 4-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]benzoic acid.
What is the SMILES notation for 4-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]benzoic acid?
The canonical SMILES for 4-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]benzoic acid is COCCN(C)CCNS(=O)(=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]benzoic acid?
The InChIKey is QZAVFEKKCCVYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-15(9-10-20-2)8-7-14-21(18,19)12-5-3-11(4-6-12)13(16)17/h3-6,14H,7-10H2,1-2H3,(H,16,17).
What are the key properties of 4-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]benzoic acid?
4-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]benzoic acid has a molecular weight of 316.38 g/mol, XLogP of 0.24, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]benzoic acid is sourced from PubChem (CID 62843991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).