[5-(2-chloro-4-fluorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate

C15H15ClFNO6S — CID 140833701

IUPAC[5-(2-chloro-4-fluorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate
SMILESCCS(=O)(=O)NC1=C(OC(C)=O)C(=O)C(C)(c2ccc(F)cc2Cl)O1
InChIInChI=1S/C15H15ClFNO6S/c1-4-25(21,22)18-14-12(23-8(2)19)13(20)15(3,24-14)10-6-5-9(17)7-11(10)16/h5-7,18H,4H2,1-3H3
InChIKeyJFURJZAKGBGCTR-UHFFFAOYSA-N
MW391.80 g/mol
LogP1.97
Rot. Bonds5

About [5-(2-chloro-4-fluorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate

[5-(2-chloro-4-fluorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate (PubChem CID 140833701) has the molecular formula C15H15ClFNO6S and a molecular weight of 391.80 g/mol. Its IUPAC name is [5-(2-chloro-4-fluorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate.

Molecular Properties

Compound Name[5-(2-chloro-4-fluorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate
PubChem CID140833701
Molecular FormulaC15H15ClFNO6S
Molecular Weight391.80 g/mol
Exact Mass391.03
IUPAC Name[5-(2-chloro-4-fluorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate
SMILESCCS(=O)(=O)NC1=C(OC(C)=O)C(=O)C(C)(c2ccc(F)cc2Cl)O1
InChIInChI=1S/C15H15ClFNO6S/c1-4-25(21,22)18-14-12(23-8(2)19)13(20)15(3,24-14)10-6-5-9(17)7-11(10)16/h5-7,18H,4H2,1-3H3
InChIKeyJFURJZAKGBGCTR-UHFFFAOYSA-N
XLogP1.97
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.80
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(2-chloro-5-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]ethanesulfonamide
CID 140833935
[5-(2,5-dichlorophenyl)-2-(methanesulfonamido)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833655
[2-(3-bromopropylsulfonylamino)-5-(3-chloro-4-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834097
[5-(4-chloro-2-fluorophenyl)-2-(ethoxycarbonylamino)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834145
[2-(methanesulfonamido)-5-(2-methoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834161
[2-(benzenesulfonamido)-5-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833963
[3-acetyloxy-5-(2-chloro-6-fluorophenyl)-5-methyl-4-oxofuran-2-yl]carbamic acid
CID 151717686
N-[5-(2,3-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]ethanesulfonamide
CID 140833665
[2-(benzenesulfonamido)-5-(2,4-dimethoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833781
1-[5-(2-chloro-4-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione
CID 140834369
[2-benzamido-5-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833950
N-(2-chloro-5-fluorophenyl)ethanesulfonamide
CID 107531524

Frequently Asked Questions

What is the IUPAC name of [5-(2-chloro-4-fluorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate?
The IUPAC name of [5-(2-chloro-4-fluorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate (CID 140833701) is [5-(2-chloro-4-fluorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate.
What is the SMILES notation for [5-(2-chloro-4-fluorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate?
The canonical SMILES for [5-(2-chloro-4-fluorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate is CCS(=O)(=O)NC1=C(OC(C)=O)C(=O)C(C)(c2ccc(F)cc2Cl)O1.
What is the InChIKey of [5-(2-chloro-4-fluorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate?
The InChIKey is JFURJZAKGBGCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO6S/c1-4-25(21,22)18-14-12(23-8(2)19)13(20)15(3,24-14)10-6-5-9(17)7-11(10)16/h5-7,18H,4H2,1-3H3.
What are the key properties of [5-(2-chloro-4-fluorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate?
[5-(2-chloro-4-fluorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate has a molecular weight of 391.80 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chloro-4-fluorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate is sourced from PubChem (CID 140833701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).