ethyl 4-[(4-morpholin-4-ylphenyl)sulfamoyl]benzoate

C19H22N2O5S — CID 2445496

IUPACethyl 4-[(4-morpholin-4-ylphenyl)sulfamoyl]benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C19H22N2O5S/c1-2-26-19(22)15-3-9-18(10-4-15)27(23,24)20-16-5-7-17(8-6-16)21-11-13-25-14-12-21/h3-10,20H,2,11-14H2,1H3
InChIKeyIFMOAWIJKZFDFL-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.50
Rot. Bonds6

About ethyl 4-[(4-morpholin-4-ylphenyl)sulfamoyl]benzoate

ethyl 4-[(4-morpholin-4-ylphenyl)sulfamoyl]benzoate (PubChem CID 2445496) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is ethyl 4-[(4-morpholin-4-ylphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[(4-morpholin-4-ylphenyl)sulfamoyl]benzoate
PubChem CID2445496
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Nameethyl 4-[(4-morpholin-4-ylphenyl)sulfamoyl]benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C19H22N2O5S/c1-2-26-19(22)15-3-9-18(10-4-15)27(23,24)20-16-5-7-17(8-6-16)21-11-13-25-14-12-21/h3-10,20H,2,11-14H2,1H3
InChIKeyIFMOAWIJKZFDFL-UHFFFAOYSA-N
XLogP2.50
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-(benzenesulfonamido)-2-(2,6-dimethylmorpholin-4-yl)benzoic Acid
CID 2804700
4-acetyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 2118303
Ethyl 4-({N-[(4-methylphenyl)methyl]4-acetamidobenzenesulfonamido}methyl)benzoate
CID 4182816
3-[4-(4-Methyl-piperazine-1-sulfonyl)-benzoylamino]-benzoic acid methyl ester
CID 655078
N-(4-morpholin-4-ylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 1118039
Ethyl 3-({[4-(acetylamino)phenyl]sulfonyl}amino)benzoate
CID 1346476
(2-Morpholin-4-yl-2-oxoethyl) 4-[methyl(phenyl)sulfamoyl]benzoate
CID 2092477
(2-oxo-1H-quinolin-4-yl) 4-(dimethylsulfamoyl)benzoate
CID 2093655
[2-Oxo-2-(4-sulfamoylanilino)ethyl] 4-(dimethylamino)benzoate
CID 2102825
[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(diethylsulfamoyl)benzoate
CID 2119081
[2-Oxo-2-(4-piperidin-1-ylanilino)ethyl] 3-(methylsulfamoyl)benzoate
CID 2129018
Methyl 4-[butyl(phenylsulfonyl)amino]benzoate
CID 2217611

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-morpholin-4-ylphenyl)sulfamoyl]benzoate?
The IUPAC name of ethyl 4-[(4-morpholin-4-ylphenyl)sulfamoyl]benzoate (CID 2445496) is ethyl 4-[(4-morpholin-4-ylphenyl)sulfamoyl]benzoate.
What is the SMILES notation for ethyl 4-[(4-morpholin-4-ylphenyl)sulfamoyl]benzoate?
The canonical SMILES for ethyl 4-[(4-morpholin-4-ylphenyl)sulfamoyl]benzoate is CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of ethyl 4-[(4-morpholin-4-ylphenyl)sulfamoyl]benzoate?
The InChIKey is IFMOAWIJKZFDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-2-26-19(22)15-3-9-18(10-4-15)27(23,24)20-16-5-7-17(8-6-16)21-11-13-25-14-12-21/h3-10,20H,2,11-14H2,1H3.
What are the key properties of ethyl 4-[(4-morpholin-4-ylphenyl)sulfamoyl]benzoate?
ethyl 4-[(4-morpholin-4-ylphenyl)sulfamoyl]benzoate has a molecular weight of 390.46 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-morpholin-4-ylphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 2445496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).