ethyl 2-(4-chloro-N-(4-fluorophenyl)sulfonyl-2-methylanilino)acetate

C17H17ClFNO4S — CID 100503333

IUPACethyl 2-(4-chloro-N-(4-fluorophenyl)sulfonyl-2-methylanilino)acetate
SMILESCCOC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H17ClFNO4S/c1-3-24-17(21)11-20(16-9-4-13(18)10-12(16)2)25(22,23)15-7-5-14(19)6-8-15/h4-10H,3,11H2,1-2H3
InChIKeyAAHZDFOSWOEYJA-UHFFFAOYSA-N
MW385.84 g/mol
LogP3.55
Rot. Bonds6

About ethyl 2-(4-chloro-N-(4-fluorophenyl)sulfonyl-2-methylanilino)acetate

ethyl 2-(4-chloro-N-(4-fluorophenyl)sulfonyl-2-methylanilino)acetate (PubChem CID 100503333) has the molecular formula C17H17ClFNO4S and a molecular weight of 385.84 g/mol. Its IUPAC name is ethyl 2-(4-chloro-N-(4-fluorophenyl)sulfonyl-2-methylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(4-chloro-N-(4-fluorophenyl)sulfonyl-2-methylanilino)acetate
PubChem CID100503333
Molecular FormulaC17H17ClFNO4S
Molecular Weight385.84 g/mol
Exact Mass385.06
IUPAC Nameethyl 2-(4-chloro-N-(4-fluorophenyl)sulfonyl-2-methylanilino)acetate
SMILESCCOC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H17ClFNO4S/c1-3-24-17(21)11-20(16-9-4-13(18)10-12(16)2)25(22,23)15-7-5-14(19)6-8-15/h4-10H,3,11H2,1-2H3
InChIKeyAAHZDFOSWOEYJA-UHFFFAOYSA-N
XLogP3.55
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.84
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(N-(4-chlorophenyl)sulfonyl-2,4-difluoroanilino)acetate
CID 50892875
ethyl 2-(2,4-dichloro-N-(4-chlorophenyl)sulfonylanilino)acetate
CID 50892167
ethyl 2-(2,4-dichloro-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50892222
ethyl 2-(4-chloro-N-(4-fluorophenyl)sulfonyl-3-methylanilino)acetate
CID 50895637
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 2279264
ethyl 2-(4-chloro-2-methyl-N-thiophen-2-ylsulfonylanilino)acetate
CID 100549552
ethyl 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetate
CID 50890111
ethyl 2-(N-(4-fluorophenyl)sulfonyl-3,5-dimethylanilino)acetate
CID 50891887
ethyl 2-(N-(3-chlorophenyl)sulfonyl-4-fluoroanilino)acetate
CID 52689634
ethyl 2-(2,4-dimethyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetate
CID 100515323
ethyl 2-(5-chloro-2-methoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetate
CID 100517631
ethyl 2-(4-bromo-N-(4-bromophenyl)sulfonyl-2-chloroanilino)acetate
CID 50893261

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chloro-N-(4-fluorophenyl)sulfonyl-2-methylanilino)acetate?
The IUPAC name of ethyl 2-(4-chloro-N-(4-fluorophenyl)sulfonyl-2-methylanilino)acetate (CID 100503333) is ethyl 2-(4-chloro-N-(4-fluorophenyl)sulfonyl-2-methylanilino)acetate.
What is the SMILES notation for ethyl 2-(4-chloro-N-(4-fluorophenyl)sulfonyl-2-methylanilino)acetate?
The canonical SMILES for ethyl 2-(4-chloro-N-(4-fluorophenyl)sulfonyl-2-methylanilino)acetate is CCOC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of ethyl 2-(4-chloro-N-(4-fluorophenyl)sulfonyl-2-methylanilino)acetate?
The InChIKey is AAHZDFOSWOEYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO4S/c1-3-24-17(21)11-20(16-9-4-13(18)10-12(16)2)25(22,23)15-7-5-14(19)6-8-15/h4-10H,3,11H2,1-2H3.
What are the key properties of ethyl 2-(4-chloro-N-(4-fluorophenyl)sulfonyl-2-methylanilino)acetate?
ethyl 2-(4-chloro-N-(4-fluorophenyl)sulfonyl-2-methylanilino)acetate has a molecular weight of 385.84 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chloro-N-(4-fluorophenyl)sulfonyl-2-methylanilino)acetate is sourced from PubChem (CID 100503333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).