[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,4-difluorobenzoate

C19H17ClF2N2O6S — CID 3970858

IUPAC[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,4-difluorobenzoate
SMILESO=C(COC(=O)c1ccc(F)cc1F)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C19H17ClF2N2O6S/c20-15-4-2-13(31(27,28)24-5-7-29-8-6-24)10-17(15)23-18(25)11-30-19(26)14-3-1-12(21)9-16(14)22/h1-4,9-10H,5-8,11H2,(H,23,25)
InChIKeyWRYOOGRAAKZTHP-UHFFFAOYSA-N
MW474.87 g/mol
LogP2.43
Rot. Bonds6

About [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,4-difluorobenzoate

[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,4-difluorobenzoate (PubChem CID 3970858) has the molecular formula C19H17ClF2N2O6S and a molecular weight of 474.87 g/mol. Its IUPAC name is [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,4-difluorobenzoate.

Molecular Properties

Compound Name[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,4-difluorobenzoate
PubChem CID3970858
Molecular FormulaC19H17ClF2N2O6S
Molecular Weight474.87 g/mol
Exact Mass474.05
IUPAC Name[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,4-difluorobenzoate
SMILESO=C(COC(=O)c1ccc(F)cc1F)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C19H17ClF2N2O6S/c20-15-4-2-13(31(27,28)24-5-7-29-8-6-24)10-17(15)23-18(25)11-30-19(26)14-3-1-12(21)9-16(14)22/h1-4,9-10H,5-8,11H2,(H,23,25)
InChIKeyWRYOOGRAAKZTHP-UHFFFAOYSA-N
XLogP2.43
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.87
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,4-difluorobenzoate?
The IUPAC name of [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,4-difluorobenzoate (CID 3970858) is [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,4-difluorobenzoate.
What is the SMILES notation for [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,4-difluorobenzoate?
The canonical SMILES for [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,4-difluorobenzoate is O=C(COC(=O)c1ccc(F)cc1F)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl.
What is the InChIKey of [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,4-difluorobenzoate?
The InChIKey is WRYOOGRAAKZTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF2N2O6S/c20-15-4-2-13(31(27,28)24-5-7-29-8-6-24)10-17(15)23-18(25)11-30-19(26)14-3-1-12(21)9-16(14)22/h1-4,9-10H,5-8,11H2,(H,23,25).
What are the key properties of [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,4-difluorobenzoate?
[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,4-difluorobenzoate has a molecular weight of 474.87 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,4-difluorobenzoate is sourced from PubChem (CID 3970858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).