ethyl 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetate

C11H13ClFNO4S — CID 2219448

IUPACethyl 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetate
SMILESCCOC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C11H13ClFNO4S/c1-3-18-11(15)7-14(19(2,16)17)8-4-5-10(13)9(12)6-8/h4-6H,3,7H2,1-2H3
InChIKeyAAMUFYYOSQFZBW-UHFFFAOYSA-N
MW309.75 g/mol
LogP1.81
Rot. Bonds5

About ethyl 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetate

ethyl 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetate (PubChem CID 2219448) has the molecular formula C11H13ClFNO4S and a molecular weight of 309.75 g/mol. Its IUPAC name is ethyl 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetate
PubChem CID2219448
Molecular FormulaC11H13ClFNO4S
Molecular Weight309.75 g/mol
Exact Mass309.02
IUPAC Nameethyl 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetate
SMILESCCOC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C11H13ClFNO4S/c1-3-18-11(15)7-14(19(2,16)17)8-4-5-10(13)9(12)6-8/h4-6H,3,7H2,1-2H3
InChIKeyAAMUFYYOSQFZBW-UHFFFAOYSA-N
XLogP1.81
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[2-(3-chloro-4-fluoro-N-methylsulfonylanilino)ethyl]carbamate
CID 113070202
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-propylacetamide
CID 2226135
N-(3-chloro-4-fluorophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 967280
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(3-ethoxypropyl)acetamide
CID 126411249
ethyl 2-(N-methylsulfonyl-4-propan-2-ylanilino)acetate
CID 50893587
ethyl 2-(4-bromo-N-methylsulfonylanilino)acetate
CID 50890872
ethyl 2-(N-methylsulfonylanilino)acetate
CID 5001910
ethyl 2-(3-chloro-N-(2,5-dichlorophenyl)sulfonyl-4-methylanilino)acetate
CID 100508031
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-phenylacetamide
CID 1260653
N-(3-chloro-4-fluorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
CID 1290563
ethyl 2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetate
CID 50895540
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 94012819

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetate?
The IUPAC name of ethyl 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetate (CID 2219448) is ethyl 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetate.
What is the SMILES notation for ethyl 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetate?
The canonical SMILES for ethyl 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetate is CCOC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O.
What is the InChIKey of ethyl 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetate?
The InChIKey is AAMUFYYOSQFZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO4S/c1-3-18-11(15)7-14(19(2,16)17)8-4-5-10(13)9(12)6-8/h4-6H,3,7H2,1-2H3.
What are the key properties of ethyl 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetate?
ethyl 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetate has a molecular weight of 309.75 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetate is sourced from PubChem (CID 2219448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).