4-[4-(ethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid

C14H18N2O6S — CID 119216316

IUPAC4-[4-(ethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
SMILESCCNS(=O)(=O)c1ccc(C(=O)N2CCOCC2C(=O)O)cc1
InChIInChI=1S/C14H18N2O6S/c1-2-15-23(20,21)11-5-3-10(4-6-11)13(17)16-7-8-22-9-12(16)14(18)19/h3-6,12,15H,2,7-9H2,1H3,(H,18,19)
InChIKeyGOVWKFIJGMQGPD-UHFFFAOYSA-N
MW342.37 g/mol
LogP-0.09
Rot. Bonds5

About 4-[4-(ethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid

4-[4-(ethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid (PubChem CID 119216316) has the molecular formula C14H18N2O6S and a molecular weight of 342.37 g/mol. Its IUPAC name is 4-[4-(ethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[4-(ethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
PubChem CID119216316
Molecular FormulaC14H18N2O6S
Molecular Weight342.37 g/mol
Exact Mass342.09
IUPAC Name4-[4-(ethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
SMILESCCNS(=O)(=O)c1ccc(C(=O)N2CCOCC2C(=O)O)cc1
InChIInChI=1S/C14H18N2O6S/c1-2-15-23(20,21)11-5-3-10(4-6-11)13(17)16-7-8-22-9-12(16)14(18)19/h3-6,12,15H,2,7-9H2,1H3,(H,18,19)
InChIKeyGOVWKFIJGMQGPD-UHFFFAOYSA-N
XLogP-0.09
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[4-(ethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid 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

4-[4-(butan-2-ylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119215860
4-[4-(2-methoxyethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119216832
4-[4-(prop-2-enylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119215901
4-[4-(tert-butylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119216050
4-[4-(propan-2-ylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119216337
4-[4-(furan-2-ylmethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119216622
(3R)-4-[4-(methylsulfanylmethyl)benzoyl]morpholine-3-carboxylic acid
CID 124513267
4-[3-(diethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119216140
4-[4-(cyclopropylcarbamoyl)benzoyl]morpholine-3-carboxylic acid
CID 120521870
4-(4-propan-2-ylsulfinylbenzoyl)morpholine-3-carboxylic acid
CID 119216119
(3R)-4-(4-fluoro-3-methylbenzoyl)morpholine-3-carboxylic acid
CID 124513507
4-(4-cyclohexylbenzoyl)morpholine-3-carboxylic acid
CID 119216482

Frequently Asked Questions

What is the IUPAC name of 4-[4-(ethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[4-(ethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid (CID 119216316) is 4-[4-(ethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[4-(ethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[4-(ethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid is CCNS(=O)(=O)c1ccc(C(=O)N2CCOCC2C(=O)O)cc1.
What is the InChIKey of 4-[4-(ethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid?
The InChIKey is GOVWKFIJGMQGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O6S/c1-2-15-23(20,21)11-5-3-10(4-6-11)13(17)16-7-8-22-9-12(16)14(18)19/h3-6,12,15H,2,7-9H2,1H3,(H,18,19).
What are the key properties of 4-[4-(ethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid?
4-[4-(ethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid has a molecular weight of 342.37 g/mol, XLogP of -0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(ethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 119216316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).