[2-(benzenesulfonamido)-5-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate

C19H15F2NO6S — CID 140833963

IUPAC[2-(benzenesulfonamido)-5-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
SMILESCC(=O)OC1=C(NS(=O)(=O)c2ccccc2)OC(C)(c2cc(F)cc(F)c2)C1=O
InChIInChI=1S/C19H15F2NO6S/c1-11(23)27-16-17(24)19(2,12-8-13(20)10-14(21)9-12)28-18(16)22-29(25,26)15-6-4-3-5-7-15/h3-10,22H,1-2H3
InChIKeyDXTWCKYCCGUMQK-UHFFFAOYSA-N
MW423.39 g/mol
LogP2.49
Rot. Bonds5

About [2-(benzenesulfonamido)-5-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate

[2-(benzenesulfonamido)-5-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate (PubChem CID 140833963) has the molecular formula C19H15F2NO6S and a molecular weight of 423.39 g/mol. Its IUPAC name is [2-(benzenesulfonamido)-5-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate.

Molecular Properties

Compound Name[2-(benzenesulfonamido)-5-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
PubChem CID140833963
Molecular FormulaC19H15F2NO6S
Molecular Weight423.39 g/mol
Exact Mass423.06
IUPAC Name[2-(benzenesulfonamido)-5-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
SMILESCC(=O)OC1=C(NS(=O)(=O)c2ccccc2)OC(C)(c2cc(F)cc(F)c2)C1=O
InChIInChI=1S/C19H15F2NO6S/c1-11(23)27-16-17(24)19(2,12-8-13(20)10-14(21)9-12)28-18(16)22-29(25,26)15-6-4-3-5-7-15/h3-10,22H,1-2H3
InChIKeyDXTWCKYCCGUMQK-UHFFFAOYSA-N
XLogP2.49
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(benzenesulfonamido)-5-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(benzenesulfonamido)-5-methyl-4-oxo-5-phenylfuran-3-yl] acetate
CID 140833803
[2-benzamido-5-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833950
[2-(benzenesulfonamido)-5-(2-methoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834171
[2-(benzenesulfonamido)-5-(2,4-dimethoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833781
[2-(benzenesulfonamido)-5-methyl-4-oxo-5-quinolin-4-ylfuran-3-yl] acetate
CID 140834438
[2-benzamido-5-(3-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834170
[2-(methanesulfonamido)-5-methyl-5-naphthalen-2-yl-4-oxofuran-3-yl] acetate
CID 140834227
[5-(2-chloro-4-fluorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833701
[2-benzamido-5-(3-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834057
[2-(benzenesulfonamido)-5-(3,5-difluorophenyl)-4-hydroxyfuran-3-yl] acetate
CID 90081276
[5-(2,5-dichlorophenyl)-2-(methanesulfonamido)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833655
[2-[ethylsulfonyl(methyl)amino]-5-(4-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 175463079

Frequently Asked Questions

What is the IUPAC name of [2-(benzenesulfonamido)-5-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate?
The IUPAC name of [2-(benzenesulfonamido)-5-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate (CID 140833963) is [2-(benzenesulfonamido)-5-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate.
What is the SMILES notation for [2-(benzenesulfonamido)-5-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate?
The canonical SMILES for [2-(benzenesulfonamido)-5-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate is CC(=O)OC1=C(NS(=O)(=O)c2ccccc2)OC(C)(c2cc(F)cc(F)c2)C1=O.
What is the InChIKey of [2-(benzenesulfonamido)-5-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate?
The InChIKey is DXTWCKYCCGUMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO6S/c1-11(23)27-16-17(24)19(2,12-8-13(20)10-14(21)9-12)28-18(16)22-29(25,26)15-6-4-3-5-7-15/h3-10,22H,1-2H3.
What are the key properties of [2-(benzenesulfonamido)-5-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate?
[2-(benzenesulfonamido)-5-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate has a molecular weight of 423.39 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzenesulfonamido)-5-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate is sourced from PubChem (CID 140833963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).