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

C15H16ClNO6S — CID 90082153

IUPAC[5-(3-chlorophenyl)-2-[ethylsulfonyl(methyl)amino]-4-hydroxyfuran-3-yl] acetate
SMILESCCS(=O)(=O)N(C)c1oc(-c2cccc(Cl)c2)c(O)c1OC(C)=O
InChIInChI=1S/C15H16ClNO6S/c1-4-24(20,21)17(3)15-14(22-9(2)18)12(19)13(23-15)10-6-5-7-11(16)8-10/h5-8,19H,4H2,1-3H3
InChIKeyOVKQPLIVDHNTGR-UHFFFAOYSA-N
MW373.81 g/mol
LogP3.02
Rot. Bonds5

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

[5-(3-chlorophenyl)-2-[ethylsulfonyl(methyl)amino]-4-hydroxyfuran-3-yl] acetate (PubChem CID 90082153) has the molecular formula C15H16ClNO6S and a molecular weight of 373.81 g/mol. Its IUPAC name is [5-(3-chlorophenyl)-2-[ethylsulfonyl(methyl)amino]-4-hydroxyfuran-3-yl] acetate.

Molecular Properties

Compound Name[5-(3-chlorophenyl)-2-[ethylsulfonyl(methyl)amino]-4-hydroxyfuran-3-yl] acetate
PubChem CID90082153
Molecular FormulaC15H16ClNO6S
Molecular Weight373.81 g/mol
Exact Mass373.04
IUPAC Name[5-(3-chlorophenyl)-2-[ethylsulfonyl(methyl)amino]-4-hydroxyfuran-3-yl] acetate
SMILESCCS(=O)(=O)N(C)c1oc(-c2cccc(Cl)c2)c(O)c1OC(C)=O
InChIInChI=1S/C15H16ClNO6S/c1-4-24(20,21)17(3)15-14(22-9(2)18)12(19)13(23-15)10-6-5-7-11(16)8-10/h5-8,19H,4H2,1-3H3
InChIKeyOVKQPLIVDHNTGR-UHFFFAOYSA-N
XLogP3.02
TPSA97.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.81
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(3-chlorophenyl)-2-[ethylsulfonyl(methyl)amino]-4-hydroxyfuran-3-yl] acetate?
The IUPAC name of [5-(3-chlorophenyl)-2-[ethylsulfonyl(methyl)amino]-4-hydroxyfuran-3-yl] acetate (CID 90082153) is [5-(3-chlorophenyl)-2-[ethylsulfonyl(methyl)amino]-4-hydroxyfuran-3-yl] acetate.
What is the SMILES notation for [5-(3-chlorophenyl)-2-[ethylsulfonyl(methyl)amino]-4-hydroxyfuran-3-yl] acetate?
The canonical SMILES for [5-(3-chlorophenyl)-2-[ethylsulfonyl(methyl)amino]-4-hydroxyfuran-3-yl] acetate is CCS(=O)(=O)N(C)c1oc(-c2cccc(Cl)c2)c(O)c1OC(C)=O.
What is the InChIKey of [5-(3-chlorophenyl)-2-[ethylsulfonyl(methyl)amino]-4-hydroxyfuran-3-yl] acetate?
The InChIKey is OVKQPLIVDHNTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO6S/c1-4-24(20,21)17(3)15-14(22-9(2)18)12(19)13(23-15)10-6-5-7-11(16)8-10/h5-8,19H,4H2,1-3H3.
What are the key properties of [5-(3-chlorophenyl)-2-[ethylsulfonyl(methyl)amino]-4-hydroxyfuran-3-yl] acetate?
[5-(3-chlorophenyl)-2-[ethylsulfonyl(methyl)amino]-4-hydroxyfuran-3-yl] acetate has a molecular weight of 373.81 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chlorophenyl)-2-[ethylsulfonyl(methyl)amino]-4-hydroxyfuran-3-yl] acetate is sourced from PubChem (CID 90082153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).