[5-(2,4-difluorophenyl)-2-[ethylsulfonyl(methyl)amino]-4-hydroxyfuran-3-yl] acetate

C15H15F2NO6S — CID 90081886

IUPAC[5-(2,4-difluorophenyl)-2-[ethylsulfonyl(methyl)amino]-4-hydroxyfuran-3-yl] acetate
SMILESCCS(=O)(=O)N(C)c1oc(-c2ccc(F)cc2F)c(O)c1OC(C)=O
InChIInChI=1S/C15H15F2NO6S/c1-4-25(21,22)18(3)15-14(23-8(2)19)12(20)13(24-15)10-6-5-9(16)7-11(10)17/h5-7,20H,4H2,1-3H3
InChIKeyNUZNMENNHZVJIG-UHFFFAOYSA-N
MW375.35 g/mol
LogP2.64
Rot. Bonds5

About [5-(2,4-difluorophenyl)-2-[ethylsulfonyl(methyl)amino]-4-hydroxyfuran-3-yl] acetate

[5-(2,4-difluorophenyl)-2-[ethylsulfonyl(methyl)amino]-4-hydroxyfuran-3-yl] acetate (PubChem CID 90081886) has the molecular formula C15H15F2NO6S and a molecular weight of 375.35 g/mol. Its IUPAC name is [5-(2,4-difluorophenyl)-2-[ethylsulfonyl(methyl)amino]-4-hydroxyfuran-3-yl] acetate.

Molecular Properties

Compound Name[5-(2,4-difluorophenyl)-2-[ethylsulfonyl(methyl)amino]-4-hydroxyfuran-3-yl] acetate
PubChem CID90081886
Molecular FormulaC15H15F2NO6S
Molecular Weight375.35 g/mol
Exact Mass375.06
IUPAC Name[5-(2,4-difluorophenyl)-2-[ethylsulfonyl(methyl)amino]-4-hydroxyfuran-3-yl] acetate
SMILESCCS(=O)(=O)N(C)c1oc(-c2ccc(F)cc2F)c(O)c1OC(C)=O
InChIInChI=1S/C15H15F2NO6S/c1-4-25(21,22)18(3)15-14(23-8(2)19)12(20)13(24-15)10-6-5-9(16)7-11(10)17/h5-7,20H,4H2,1-3H3
InChIKeyNUZNMENNHZVJIG-UHFFFAOYSA-N
XLogP2.64
TPSA97.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(2,4-difluorophenyl)-2-[ethylsulfonyl(methyl)amino]-4-hydroxyfuran-3-yl] acetate?
The IUPAC name of [5-(2,4-difluorophenyl)-2-[ethylsulfonyl(methyl)amino]-4-hydroxyfuran-3-yl] acetate (CID 90081886) is [5-(2,4-difluorophenyl)-2-[ethylsulfonyl(methyl)amino]-4-hydroxyfuran-3-yl] acetate.
What is the SMILES notation for [5-(2,4-difluorophenyl)-2-[ethylsulfonyl(methyl)amino]-4-hydroxyfuran-3-yl] acetate?
The canonical SMILES for [5-(2,4-difluorophenyl)-2-[ethylsulfonyl(methyl)amino]-4-hydroxyfuran-3-yl] acetate is CCS(=O)(=O)N(C)c1oc(-c2ccc(F)cc2F)c(O)c1OC(C)=O.
What is the InChIKey of [5-(2,4-difluorophenyl)-2-[ethylsulfonyl(methyl)amino]-4-hydroxyfuran-3-yl] acetate?
The InChIKey is NUZNMENNHZVJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO6S/c1-4-25(21,22)18(3)15-14(23-8(2)19)12(20)13(24-15)10-6-5-9(16)7-11(10)17/h5-7,20H,4H2,1-3H3.
What are the key properties of [5-(2,4-difluorophenyl)-2-[ethylsulfonyl(methyl)amino]-4-hydroxyfuran-3-yl] acetate?
[5-(2,4-difluorophenyl)-2-[ethylsulfonyl(methyl)amino]-4-hydroxyfuran-3-yl] acetate has a molecular weight of 375.35 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-difluorophenyl)-2-[ethylsulfonyl(methyl)amino]-4-hydroxyfuran-3-yl] acetate is sourced from PubChem (CID 90081886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).