[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate

C20H20F2N2O7S — CID 2386733

IUPAC[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccccc1OC(F)F
InChIInChI=1S/C20H20F2N2O7S/c21-20(22)31-17-4-2-1-3-16(17)23-18(25)13-30-19(26)14-5-7-15(8-6-14)32(27,28)24-9-11-29-12-10-24/h1-8,20H,9-13H2,(H,23,25)
InChIKeyPNLHASJQOSAYTO-UHFFFAOYSA-N
MW470.45 g/mol
LogP2.10
Rot. Bonds8

About [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate

[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate (PubChem CID 2386733) has the molecular formula C20H20F2N2O7S and a molecular weight of 470.45 g/mol. Its IUPAC name is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
PubChem CID2386733
Molecular FormulaC20H20F2N2O7S
Molecular Weight470.45 g/mol
Exact Mass470.10
IUPAC Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccccc1OC(F)F
InChIInChI=1S/C20H20F2N2O7S/c21-20(22)31-17-4-2-1-3-16(17)23-18(25)13-30-19(26)14-5-7-15(8-6-14)32(27,28)24-9-11-29-12-10-24/h1-8,20H,9-13H2,(H,23,25)
InChIKeyPNLHASJQOSAYTO-UHFFFAOYSA-N
XLogP2.10
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.45
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate (CID 2386733) is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate is O=C(COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccccc1OC(F)F.
What is the InChIKey of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate?
The InChIKey is PNLHASJQOSAYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O7S/c21-20(22)31-17-4-2-1-3-16(17)23-18(25)13-30-19(26)14-5-7-15(8-6-14)32(27,28)24-9-11-29-12-10-24/h1-8,20H,9-13H2,(H,23,25).
What are the key properties of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate?
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate has a molecular weight of 470.45 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 2386733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).