methyl 3-[2,2-difluoroethyl-(2-methoxy-2-oxoethyl)sulfonylamino]pyrazine-2-carboxylate

C11H13F2N3O6S — CID 59623759

IUPACmethyl 3-[2,2-difluoroethyl-(2-methoxy-2-oxoethyl)sulfonylamino]pyrazine-2-carboxylate
SMILESCOC(=O)CS(=O)(=O)N(CC(F)F)c1nccnc1C(=O)OC
InChIInChI=1S/C11H13F2N3O6S/c1-21-8(17)6-23(19,20)16(5-7(12)13)10-9(11(18)22-2)14-3-4-15-10/h3-4,7H,5-6H2,1-2H3
InChIKeyDHZMZPKGXGLKJS-UHFFFAOYSA-N
MW353.30 g/mol
LogP-0.16
Rot. Bonds7

About methyl 3-[2,2-difluoroethyl-(2-methoxy-2-oxoethyl)sulfonylamino]pyrazine-2-carboxylate

methyl 3-[2,2-difluoroethyl-(2-methoxy-2-oxoethyl)sulfonylamino]pyrazine-2-carboxylate (PubChem CID 59623759) has the molecular formula C11H13F2N3O6S and a molecular weight of 353.30 g/mol. Its IUPAC name is methyl 3-[2,2-difluoroethyl-(2-methoxy-2-oxoethyl)sulfonylamino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2,2-difluoroethyl-(2-methoxy-2-oxoethyl)sulfonylamino]pyrazine-2-carboxylate
PubChem CID59623759
Molecular FormulaC11H13F2N3O6S
Molecular Weight353.30 g/mol
Exact Mass353.05
IUPAC Namemethyl 3-[2,2-difluoroethyl-(2-methoxy-2-oxoethyl)sulfonylamino]pyrazine-2-carboxylate
SMILESCOC(=O)CS(=O)(=O)N(CC(F)F)c1nccnc1C(=O)OC
InChIInChI=1S/C11H13F2N3O6S/c1-21-8(17)6-23(19,20)16(5-7(12)13)10-9(11(18)22-2)14-3-4-15-10/h3-4,7H,5-6H2,1-2H3
InChIKeyDHZMZPKGXGLKJS-UHFFFAOYSA-N
XLogP-0.16
TPSA115.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2,2-difluoroethyl-(2-methoxy-2-oxoethyl)sulfonylamino]pyrazine-2-carboxylate?
The IUPAC name of methyl 3-[2,2-difluoroethyl-(2-methoxy-2-oxoethyl)sulfonylamino]pyrazine-2-carboxylate (CID 59623759) is methyl 3-[2,2-difluoroethyl-(2-methoxy-2-oxoethyl)sulfonylamino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-[2,2-difluoroethyl-(2-methoxy-2-oxoethyl)sulfonylamino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 3-[2,2-difluoroethyl-(2-methoxy-2-oxoethyl)sulfonylamino]pyrazine-2-carboxylate is COC(=O)CS(=O)(=O)N(CC(F)F)c1nccnc1C(=O)OC.
What is the InChIKey of methyl 3-[2,2-difluoroethyl-(2-methoxy-2-oxoethyl)sulfonylamino]pyrazine-2-carboxylate?
The InChIKey is DHZMZPKGXGLKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O6S/c1-21-8(17)6-23(19,20)16(5-7(12)13)10-9(11(18)22-2)14-3-4-15-10/h3-4,7H,5-6H2,1-2H3.
What are the key properties of methyl 3-[2,2-difluoroethyl-(2-methoxy-2-oxoethyl)sulfonylamino]pyrazine-2-carboxylate?
methyl 3-[2,2-difluoroethyl-(2-methoxy-2-oxoethyl)sulfonylamino]pyrazine-2-carboxylate has a molecular weight of 353.30 g/mol, XLogP of -0.16, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2,2-difluoroethyl-(2-methoxy-2-oxoethyl)sulfonylamino]pyrazine-2-carboxylate is sourced from PubChem (CID 59623759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).