2-ethoxyethyl 3-sulfamoylbenzoate

C11H15NO5S — CID 60642833

IUPAC2-ethoxyethyl 3-sulfamoylbenzoate
SMILESCCOCCOC(=O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C11H15NO5S/c1-2-16-6-7-17-11(13)9-4-3-5-10(8-9)18(12,14)15/h3-5,8H,2,6-7H2,1H3,(H2,12,14,15)
InChIKeyIKSWKDSKTGBJES-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.53
Rot. Bonds6

About 2-ethoxyethyl 3-sulfamoylbenzoate

2-ethoxyethyl 3-sulfamoylbenzoate (PubChem CID 60642833) has the molecular formula C11H15NO5S and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-ethoxyethyl 3-sulfamoylbenzoate.

Molecular Properties

Compound Name2-ethoxyethyl 3-sulfamoylbenzoate
PubChem CID60642833
Molecular FormulaC11H15NO5S
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC Name2-ethoxyethyl 3-sulfamoylbenzoate
SMILESCCOCCOC(=O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C11H15NO5S/c1-2-16-6-7-17-11(13)9-4-3-5-10(8-9)18(12,14)15/h3-5,8H,2,6-7H2,1H3,(H2,12,14,15)
InChIKeyIKSWKDSKTGBJES-UHFFFAOYSA-N
XLogP0.53
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-ethoxyethyl 3-sulfamoylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-butoxyethyl 3-sulfamoylbenzoate
CID 65382492
dodecyl 3-sulfamoylbenzoate
CID 57216303
2-propan-2-yloxyethyl 3-sulfamoylbenzoate
CID 60643819
2-ethoxyethyl 3-(trifluoromethyl)benzoate
CID 78788467
2-[3-(diethylsulfamoyl)benzoyl]oxyethyl 3-(diethylsulfamoyl)benzoate
CID 4188820
2-methoxyethyl 3-chlorosulfonylbenzoate
CID 16770984
lithium 3-ethoxycarbonylbenzenesulfonate
CID 161286233
propyl 3-(diethylsulfamoyl)benzoate
CID 78907711
3-butanoylbenzenesulfonamide
CID 63839666
sodium 3-butoxycarbonylbenzenesulfonate
CID 23704490
3-undecoxycarbonylbenzenesulfonic acid
CID 90246277
3-(2,2-dimethylpropanoyl)benzenesulfonamide
CID 58728640

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 3-sulfamoylbenzoate?
The IUPAC name of 2-ethoxyethyl 3-sulfamoylbenzoate (CID 60642833) is 2-ethoxyethyl 3-sulfamoylbenzoate.
What is the SMILES notation for 2-ethoxyethyl 3-sulfamoylbenzoate?
The canonical SMILES for 2-ethoxyethyl 3-sulfamoylbenzoate is CCOCCOC(=O)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 2-ethoxyethyl 3-sulfamoylbenzoate?
The InChIKey is IKSWKDSKTGBJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S/c1-2-16-6-7-17-11(13)9-4-3-5-10(8-9)18(12,14)15/h3-5,8H,2,6-7H2,1H3,(H2,12,14,15).
What are the key properties of 2-ethoxyethyl 3-sulfamoylbenzoate?
2-ethoxyethyl 3-sulfamoylbenzoate has a molecular weight of 273.31 g/mol, XLogP of 0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 3-sulfamoylbenzoate is sourced from PubChem (CID 60642833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).