4-[2-(2-morpholin-4-ylethylsulfamoyl)ethyl]benzoic acid

C15H22N2O5S — CID 90187479

IUPAC4-[2-(2-morpholin-4-ylethylsulfamoyl)ethyl]benzoic acid
SMILESO=C(O)c1ccc(CCS(=O)(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C15H22N2O5S/c18-15(19)14-3-1-13(2-4-14)5-12-23(20,21)16-6-7-17-8-10-22-11-9-17/h1-4,16H,5-12H2,(H,18,19)
InChIKeyLUFIYAHXNPRTHO-UHFFFAOYSA-N
MW342.42 g/mol
LogP0.18
Rot. Bonds8

About 4-[2-(2-morpholin-4-ylethylsulfamoyl)ethyl]benzoic acid

4-[2-(2-morpholin-4-ylethylsulfamoyl)ethyl]benzoic acid (PubChem CID 90187479) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is 4-[2-(2-morpholin-4-ylethylsulfamoyl)ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-(2-morpholin-4-ylethylsulfamoyl)ethyl]benzoic acid
PubChem CID90187479
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name4-[2-(2-morpholin-4-ylethylsulfamoyl)ethyl]benzoic acid
SMILESO=C(O)c1ccc(CCS(=O)(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C15H22N2O5S/c18-15(19)14-3-1-13(2-4-14)5-12-23(20,21)16-6-7-17-8-10-22-11-9-17/h1-4,16H,5-12H2,(H,18,19)
InChIKeyLUFIYAHXNPRTHO-UHFFFAOYSA-N
XLogP0.18
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-(2-morpholin-4-ylethylsulfamoyl)ethyl]benzoic 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-[(2-morpholin-4-ylethylamino)methyl]benzoic acid;dihydrochloride
CID 17159786
3-fluoro-4-(2-morpholin-4-ylethylsulfamoyl)benzoic acid
CID 154741645
4-(2-bromoethyl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 110316594
2-(4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]ethanesulfonamide
CID 29344525
4-tert-butyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;oxalic acid
CID 56603480
4-[(2-morpholin-4-ylethylamino)methyl]benzamide
CID 28583134
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045881
4-[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethyl]benzoic acid
CID 79694512
2-phenyl-N-[4-(2-phenylmorpholin-4-yl)butyl]ethanesulfonamide
CID 16892892
2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]ethanesulfonamide
CID 16890665
1-(2-morpholin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108988277
4-[2-(cyclopropylmethylsulfonylamino)ethyl]benzoic acid
CID 64987591

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-morpholin-4-ylethylsulfamoyl)ethyl]benzoic acid?
The IUPAC name of 4-[2-(2-morpholin-4-ylethylsulfamoyl)ethyl]benzoic acid (CID 90187479) is 4-[2-(2-morpholin-4-ylethylsulfamoyl)ethyl]benzoic acid.
What is the SMILES notation for 4-[2-(2-morpholin-4-ylethylsulfamoyl)ethyl]benzoic acid?
The canonical SMILES for 4-[2-(2-morpholin-4-ylethylsulfamoyl)ethyl]benzoic acid is O=C(O)c1ccc(CCS(=O)(=O)NCCN2CCOCC2)cc1.
What is the InChIKey of 4-[2-(2-morpholin-4-ylethylsulfamoyl)ethyl]benzoic acid?
The InChIKey is LUFIYAHXNPRTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c18-15(19)14-3-1-13(2-4-14)5-12-23(20,21)16-6-7-17-8-10-22-11-9-17/h1-4,16H,5-12H2,(H,18,19).
What are the key properties of 4-[2-(2-morpholin-4-ylethylsulfamoyl)ethyl]benzoic acid?
4-[2-(2-morpholin-4-ylethylsulfamoyl)ethyl]benzoic acid has a molecular weight of 342.42 g/mol, XLogP of 0.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-morpholin-4-ylethylsulfamoyl)ethyl]benzoic acid is sourced from PubChem (CID 90187479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).