N-[5-(2,3-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]ethanesulfonamide

C13H13Cl2NO5S — CID 140833665

IUPACN-[5-(2,3-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1=C(O)C(=O)C(C)(c2cccc(Cl)c2Cl)O1
InChIInChI=1S/C13H13Cl2NO5S/c1-3-22(19,20)16-12-10(17)11(18)13(2,21-12)7-5-4-6-8(14)9(7)15/h4-6,16-17H,3H2,1-2H3
InChIKeyMEMQPPFXRUTXPM-UHFFFAOYSA-N
MW366.22 g/mol
LogP2.47
Rot. Bonds4

About N-[5-(2,3-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]ethanesulfonamide

N-[5-(2,3-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]ethanesulfonamide (PubChem CID 140833665) has the molecular formula C13H13Cl2NO5S and a molecular weight of 366.22 g/mol. Its IUPAC name is N-[5-(2,3-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[5-(2,3-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]ethanesulfonamide
PubChem CID140833665
Molecular FormulaC13H13Cl2NO5S
Molecular Weight366.22 g/mol
Exact Mass364.99
IUPAC NameN-[5-(2,3-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1=C(O)C(=O)C(C)(c2cccc(Cl)c2Cl)O1
InChIInChI=1S/C13H13Cl2NO5S/c1-3-22(19,20)16-12-10(17)11(18)13(2,21-12)7-5-4-6-8(14)9(7)15/h4-6,16-17H,3H2,1-2H3
InChIKeyMEMQPPFXRUTXPM-UHFFFAOYSA-N
XLogP2.47
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2-chloro-5-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]ethanesulfonamide
CID 140833935
3-bromo-N-[5-(2,6-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]propane-1-sulfonamide
CID 140834381
N-[5-(3-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzenesulfonamide
CID 140833834
N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)ethanesulfonamide
CID 140834220
N-[5-(2,6-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide
CID 140834203
[5-(2,3-dichlorophenyl)-2-(ethoxycarbonylamino)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833569
[5-(2-chloro-4-fluorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833701
1-[5-(2,3-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one
CID 140834026
[5-(2,3-dichlorophenyl)-2-[ethylsulfonyl(methyl)amino]-5-methyl-4-oxofuran-3-yl] acetate
CID 174753573
5-amino-2-(2,3-dichlorophenyl)-2-methyl-4-trimethylsilyloxyfuran-3-one
CID 90082115
1-[5-(3-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione
CID 140833727
4-bromo-N-[5-(2-chloro-5-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]butanamide
CID 140834261

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]ethanesulfonamide?
The IUPAC name of N-[5-(2,3-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]ethanesulfonamide (CID 140833665) is N-[5-(2,3-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]ethanesulfonamide.
What is the SMILES notation for N-[5-(2,3-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]ethanesulfonamide?
The canonical SMILES for N-[5-(2,3-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]ethanesulfonamide is CCS(=O)(=O)NC1=C(O)C(=O)C(C)(c2cccc(Cl)c2Cl)O1.
What is the InChIKey of N-[5-(2,3-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]ethanesulfonamide?
The InChIKey is MEMQPPFXRUTXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO5S/c1-3-22(19,20)16-12-10(17)11(18)13(2,21-12)7-5-4-6-8(14)9(7)15/h4-6,16-17H,3H2,1-2H3.
What are the key properties of N-[5-(2,3-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]ethanesulfonamide?
N-[5-(2,3-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]ethanesulfonamide has a molecular weight of 366.22 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,3-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]ethanesulfonamide is sourced from PubChem (CID 140833665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).