[2-(benzenesulfonamido)-5-(2-chloro-6-fluorophenyl)-4-hydroxyfuran-3-yl] acetate

C18H13ClFNO6S — CID 90081966

IUPAC[2-(benzenesulfonamido)-5-(2-chloro-6-fluorophenyl)-4-hydroxyfuran-3-yl] acetate
SMILESCC(=O)Oc1c(NS(=O)(=O)c2ccccc2)oc(-c2c(F)cccc2Cl)c1O
InChIInChI=1S/C18H13ClFNO6S/c1-10(22)26-17-15(23)16(14-12(19)8-5-9-13(14)20)27-18(17)21-28(24,25)11-6-3-2-4-7-11/h2-9,21,23H,1H3
InChIKeyPUPNAWMHKGLYBO-UHFFFAOYSA-N
MW425.82 g/mol
LogP4.17
Rot. Bonds5

About [2-(benzenesulfonamido)-5-(2-chloro-6-fluorophenyl)-4-hydroxyfuran-3-yl] acetate

[2-(benzenesulfonamido)-5-(2-chloro-6-fluorophenyl)-4-hydroxyfuran-3-yl] acetate (PubChem CID 90081966) has the molecular formula C18H13ClFNO6S and a molecular weight of 425.82 g/mol. Its IUPAC name is [2-(benzenesulfonamido)-5-(2-chloro-6-fluorophenyl)-4-hydroxyfuran-3-yl] acetate.

Molecular Properties

Compound Name[2-(benzenesulfonamido)-5-(2-chloro-6-fluorophenyl)-4-hydroxyfuran-3-yl] acetate
PubChem CID90081966
Molecular FormulaC18H13ClFNO6S
Molecular Weight425.82 g/mol
Exact Mass425.01
IUPAC Name[2-(benzenesulfonamido)-5-(2-chloro-6-fluorophenyl)-4-hydroxyfuran-3-yl] acetate
SMILESCC(=O)Oc1c(NS(=O)(=O)c2ccccc2)oc(-c2c(F)cccc2Cl)c1O
InChIInChI=1S/C18H13ClFNO6S/c1-10(22)26-17-15(23)16(14-12(19)8-5-9-13(14)20)27-18(17)21-28(24,25)11-6-3-2-4-7-11/h2-9,21,23H,1H3
InChIKeyPUPNAWMHKGLYBO-UHFFFAOYSA-N
XLogP4.17
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.82
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(benzenesulfonamido)-5-(3-chloro-2-fluorophenyl)-4-hydroxyfuran-3-yl] acetate
CID 90081582
[2-(benzenesulfonamido)-5-(3,4-difluorophenyl)-4-hydroxyfuran-3-yl] acetate
CID 90081480
[2-(benzenesulfonamido)-5-(3,5-difluorophenyl)-4-hydroxyfuran-3-yl] acetate
CID 90081276
3-bromo-N-[5-(2-chloro-6-fluorophenyl)-4-hydroxy-3-trimethylsilyloxyfuran-2-yl]propane-1-sulfonamide
CID 90082039
[2-acetamido-5-(2-chlorophenyl)-4-hydroxyfuran-3-yl] acetate
CID 90082086
[5-(3,5-dichlorophenyl)-4-hydroxy-2-(methanesulfonamido)furan-3-yl] acetate
CID 90080921
[2-benzamido-5-(3-chloro-4-fluorophenyl)-4-hydroxyfuran-3-yl] acetate
CID 90082181
N-[5-(2,4-difluorophenyl)-3,4-dihydroxyfuran-2-yl]benzenesulfonamide
CID 90080765
[3-acetyloxy-5-(2,3-dimethoxyphenyl)-4-hydroxyfuran-2-yl]carbamic acid
CID 152514048
[2-(benzenesulfonamido)-4-chlorophenyl] acetate
CID 51700783
[5-(2,6-difluorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-hydroxyfuran-3-yl] acetate
CID 90083296
N-(5-chloro-4-fluoro-2-hydroxyphenyl)benzenesulfonamide
CID 82720133

Frequently Asked Questions

What is the IUPAC name of [2-(benzenesulfonamido)-5-(2-chloro-6-fluorophenyl)-4-hydroxyfuran-3-yl] acetate?
The IUPAC name of [2-(benzenesulfonamido)-5-(2-chloro-6-fluorophenyl)-4-hydroxyfuran-3-yl] acetate (CID 90081966) is [2-(benzenesulfonamido)-5-(2-chloro-6-fluorophenyl)-4-hydroxyfuran-3-yl] acetate.
What is the SMILES notation for [2-(benzenesulfonamido)-5-(2-chloro-6-fluorophenyl)-4-hydroxyfuran-3-yl] acetate?
The canonical SMILES for [2-(benzenesulfonamido)-5-(2-chloro-6-fluorophenyl)-4-hydroxyfuran-3-yl] acetate is CC(=O)Oc1c(NS(=O)(=O)c2ccccc2)oc(-c2c(F)cccc2Cl)c1O.
What is the InChIKey of [2-(benzenesulfonamido)-5-(2-chloro-6-fluorophenyl)-4-hydroxyfuran-3-yl] acetate?
The InChIKey is PUPNAWMHKGLYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFNO6S/c1-10(22)26-17-15(23)16(14-12(19)8-5-9-13(14)20)27-18(17)21-28(24,25)11-6-3-2-4-7-11/h2-9,21,23H,1H3.
What are the key properties of [2-(benzenesulfonamido)-5-(2-chloro-6-fluorophenyl)-4-hydroxyfuran-3-yl] acetate?
[2-(benzenesulfonamido)-5-(2-chloro-6-fluorophenyl)-4-hydroxyfuran-3-yl] acetate has a molecular weight of 425.82 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzenesulfonamido)-5-(2-chloro-6-fluorophenyl)-4-hydroxyfuran-3-yl] acetate is sourced from PubChem (CID 90081966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).