[5-(3,5-dichlorophenyl)-4-hydroxy-2-(methanesulfonamido)furan-3-yl] acetate

C13H11Cl2NO6S — CID 90080921

IUPAC[5-(3,5-dichlorophenyl)-4-hydroxy-2-(methanesulfonamido)furan-3-yl] acetate
SMILESCC(=O)Oc1c(NS(C)(=O)=O)oc(-c2cc(Cl)cc(Cl)c2)c1O
InChIInChI=1S/C13H11Cl2NO6S/c1-6(17)21-12-10(18)11(22-13(12)16-23(2,19)20)7-3-8(14)5-9(15)4-7/h3-5,16,18H,1-2H3
InChIKeyISFBFCAOQYQKLW-UHFFFAOYSA-N
MW380.21 g/mol
LogP3.26
Rot. Bonds4

About [5-(3,5-dichlorophenyl)-4-hydroxy-2-(methanesulfonamido)furan-3-yl] acetate

[5-(3,5-dichlorophenyl)-4-hydroxy-2-(methanesulfonamido)furan-3-yl] acetate (PubChem CID 90080921) has the molecular formula C13H11Cl2NO6S and a molecular weight of 380.21 g/mol. Its IUPAC name is [5-(3,5-dichlorophenyl)-4-hydroxy-2-(methanesulfonamido)furan-3-yl] acetate.

Molecular Properties

Compound Name[5-(3,5-dichlorophenyl)-4-hydroxy-2-(methanesulfonamido)furan-3-yl] acetate
PubChem CID90080921
Molecular FormulaC13H11Cl2NO6S
Molecular Weight380.21 g/mol
Exact Mass378.97
IUPAC Name[5-(3,5-dichlorophenyl)-4-hydroxy-2-(methanesulfonamido)furan-3-yl] acetate
SMILESCC(=O)Oc1c(NS(C)(=O)=O)oc(-c2cc(Cl)cc(Cl)c2)c1O
InChIInChI=1S/C13H11Cl2NO6S/c1-6(17)21-12-10(18)11(22-13(12)16-23(2,19)20)7-3-8(14)5-9(15)4-7/h3-5,16,18H,1-2H3
InChIKeyISFBFCAOQYQKLW-UHFFFAOYSA-N
XLogP3.26
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.21
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(3,5-dichlorophenyl)-4-hydroxy-2-(methanesulfonamido)furan-3-yl] acetate?
The IUPAC name of [5-(3,5-dichlorophenyl)-4-hydroxy-2-(methanesulfonamido)furan-3-yl] acetate (CID 90080921) is [5-(3,5-dichlorophenyl)-4-hydroxy-2-(methanesulfonamido)furan-3-yl] acetate.
What is the SMILES notation for [5-(3,5-dichlorophenyl)-4-hydroxy-2-(methanesulfonamido)furan-3-yl] acetate?
The canonical SMILES for [5-(3,5-dichlorophenyl)-4-hydroxy-2-(methanesulfonamido)furan-3-yl] acetate is CC(=O)Oc1c(NS(C)(=O)=O)oc(-c2cc(Cl)cc(Cl)c2)c1O.
What is the InChIKey of [5-(3,5-dichlorophenyl)-4-hydroxy-2-(methanesulfonamido)furan-3-yl] acetate?
The InChIKey is ISFBFCAOQYQKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO6S/c1-6(17)21-12-10(18)11(22-13(12)16-23(2,19)20)7-3-8(14)5-9(15)4-7/h3-5,16,18H,1-2H3.
What are the key properties of [5-(3,5-dichlorophenyl)-4-hydroxy-2-(methanesulfonamido)furan-3-yl] acetate?
[5-(3,5-dichlorophenyl)-4-hydroxy-2-(methanesulfonamido)furan-3-yl] acetate has a molecular weight of 380.21 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,5-dichlorophenyl)-4-hydroxy-2-(methanesulfonamido)furan-3-yl] acetate is sourced from PubChem (CID 90080921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).