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

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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).