3-[(4-ethoxyphenyl)sulfamoyl]benzoate

C15H14NO5S- — CID 7040417

IUPAC3-[(4-ethoxyphenyl)sulfamoyl]benzoate
SMILESCCOc1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1
InChIInChI=1S/C15H15NO5S/c1-2-21-13-8-6-12(7-9-13)16-22(19,20)14-5-3-4-11(10-14)15(17)18/h3-10,16H,2H2,1H3,(H,17,18)/p-1
InChIKeyAMUDGRXNCHTVTA-UHFFFAOYSA-M
MW320.35 g/mol
LogP1.25
Rot. Bonds6

About 3-[(4-ethoxyphenyl)sulfamoyl]benzoate

3-[(4-ethoxyphenyl)sulfamoyl]benzoate (PubChem CID 7040417) has the molecular formula C15H14NO5S- and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)sulfamoyl]benzoate
PubChem CID7040417
Molecular FormulaC15H14NO5S-
Molecular Weight320.35 g/mol
Exact Mass320.06
IUPAC Name3-[(4-ethoxyphenyl)sulfamoyl]benzoate
SMILESCCOc1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1
InChIInChI=1S/C15H15NO5S/c1-2-21-13-8-6-12(7-9-13)16-22(19,20)14-5-3-4-11(10-14)15(17)18/h3-10,16H,2H2,1H3,(H,17,18)/p-1
InChIKeyAMUDGRXNCHTVTA-UHFFFAOYSA-M
XLogP1.25
TPSA95.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(azocane-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide
CID 55370420
N-cyclopentyl-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 9118857
3-(azepane-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide
CID 9314938
N-(cyclopropylmethyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 43047280
N-(4-ethoxyphenyl)-3-[[(4-fluorobenzoyl)amino]carbamoyl]benzenesulfonamide
CID 22109353
N-(3-aminobutyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride
CID 119498833
N-(2-anilino-2-oxoethyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 55958800
3-[(3-carboxylatophenyl)sulfonylamino]benzoate
CID 4517286
3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methyl-2-pyridinyl)benzamide
CID 35032875
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-methoxybenzamide
CID 17146887
[1-(4-ethoxyanilino)-1-oxopropan-2-yl] 3-[(4-methoxyphenyl)sulfamoyl]benzoate
CID 43014117
3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-fluoro-4-methylphenyl)benzamide
CID 51547155

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)sulfamoyl]benzoate?
The IUPAC name of 3-[(4-ethoxyphenyl)sulfamoyl]benzoate (CID 7040417) is 3-[(4-ethoxyphenyl)sulfamoyl]benzoate.
What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfamoyl]benzoate?
The canonical SMILES for 3-[(4-ethoxyphenyl)sulfamoyl]benzoate is CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)sulfamoyl]benzoate?
The InChIKey is AMUDGRXNCHTVTA-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H15NO5S/c1-2-21-13-8-6-12(7-9-13)16-22(19,20)14-5-3-4-11(10-14)15(17)18/h3-10,16H,2H2,1H3,(H,17,18)/p-1.
What are the key properties of 3-[(4-ethoxyphenyl)sulfamoyl]benzoate?
3-[(4-ethoxyphenyl)sulfamoyl]benzoate has a molecular weight of 320.35 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 7040417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).