ethyl 3-[(4-fluorophenyl)sulfonylamino]-4-morpholin-4-ylbenzoate

C19H21FN2O5S — CID 2818628

IUPACethyl 3-[(4-fluorophenyl)sulfonylamino]-4-morpholin-4-ylbenzoate
SMILESCCOC(=O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C19H21FN2O5S/c1-2-27-19(23)14-3-8-18(22-9-11-26-12-10-22)17(13-14)21-28(24,25)16-6-4-15(20)5-7-16/h3-8,13,21H,2,9-12H2,1H3
InChIKeyNTKDHKPUDPXPJF-UHFFFAOYSA-N
MW408.45 g/mol
LogP2.64
Rot. Bonds6

About ethyl 3-[(4-fluorophenyl)sulfonylamino]-4-morpholin-4-ylbenzoate

ethyl 3-[(4-fluorophenyl)sulfonylamino]-4-morpholin-4-ylbenzoate (PubChem CID 2818628) has the molecular formula C19H21FN2O5S and a molecular weight of 408.45 g/mol. Its IUPAC name is ethyl 3-[(4-fluorophenyl)sulfonylamino]-4-morpholin-4-ylbenzoate.

Molecular Properties

Compound Nameethyl 3-[(4-fluorophenyl)sulfonylamino]-4-morpholin-4-ylbenzoate
PubChem CID2818628
Molecular FormulaC19H21FN2O5S
Molecular Weight408.45 g/mol
Exact Mass408.12
IUPAC Nameethyl 3-[(4-fluorophenyl)sulfonylamino]-4-morpholin-4-ylbenzoate
SMILESCCOC(=O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C19H21FN2O5S/c1-2-27-19(23)14-3-8-18(22-9-11-26-12-10-22)17(13-14)21-28(24,25)16-6-4-15(20)5-7-16/h3-8,13,21H,2,9-12H2,1H3
InChIKeyNTKDHKPUDPXPJF-UHFFFAOYSA-N
XLogP2.64
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 3-[(4-fluorophenyl)sulfonylamino]-4-morpholin-4-ylbenzoate 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

Methyl 4-(azepan-1-yl)-3-[[4-[4-(1-methylpiperidin-4-yl)butyl]phenyl]sulfonylamino]benzoate
CID 137349318
3-[4-(4-Methyl-piperazine-1-sulfonyl)-benzoylamino]-benzoic acid methyl ester
CID 655078
[2-Oxo-2-(4-sulfamoylanilino)ethyl] 4-(dimethylamino)benzoate
CID 2102825
Methyl 4-[butyl(phenylsulfonyl)amino]benzoate
CID 2217611
Ethyl 4-(ethylamino)-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 2336193
3-[(2-Morpholin-4-ylphenyl)sulfamoyl]benzoic acid
CID 2386105
Ethyl 4-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate
CID 2979567
Ethyl 4-{4-[(3,5-dimethylpiperidin-1-yl)sulfonyl]benzamido}benzoate
CID 3381997
Methyl 4-[4-(benzenesulfonyl)piperazin-1-yl]-3-nitrobenzoate
CID 3597986
Methyl 4-[(phenylsulfonyl)(propyl)amino]benzoate
CID 3629174
[2-(4-Methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-fluorobenzoate
CID 4802286
[1-(3-Acetylanilino)-1-oxopropan-2-yl] 3-(4-methylpiperazin-1-yl)sulfonylbenzoate
CID 4848370

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-fluorophenyl)sulfonylamino]-4-morpholin-4-ylbenzoate?
The IUPAC name of ethyl 3-[(4-fluorophenyl)sulfonylamino]-4-morpholin-4-ylbenzoate (CID 2818628) is ethyl 3-[(4-fluorophenyl)sulfonylamino]-4-morpholin-4-ylbenzoate.
What is the SMILES notation for ethyl 3-[(4-fluorophenyl)sulfonylamino]-4-morpholin-4-ylbenzoate?
The canonical SMILES for ethyl 3-[(4-fluorophenyl)sulfonylamino]-4-morpholin-4-ylbenzoate is CCOC(=O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of ethyl 3-[(4-fluorophenyl)sulfonylamino]-4-morpholin-4-ylbenzoate?
The InChIKey is NTKDHKPUDPXPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O5S/c1-2-27-19(23)14-3-8-18(22-9-11-26-12-10-22)17(13-14)21-28(24,25)16-6-4-15(20)5-7-16/h3-8,13,21H,2,9-12H2,1H3.
What are the key properties of ethyl 3-[(4-fluorophenyl)sulfonylamino]-4-morpholin-4-ylbenzoate?
ethyl 3-[(4-fluorophenyl)sulfonylamino]-4-morpholin-4-ylbenzoate has a molecular weight of 408.45 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-fluorophenyl)sulfonylamino]-4-morpholin-4-ylbenzoate is sourced from PubChem (CID 2818628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).