ethyl 2-(N-(4-chlorophenyl)sulfonyl-2,4-difluoroanilino)acetate

C16H14ClF2NO4S — CID 50892875

IUPACethyl 2-(N-(4-chlorophenyl)sulfonyl-2,4-difluoroanilino)acetate
SMILESCCOC(=O)CN(c1ccc(F)cc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClF2NO4S/c1-2-24-16(21)10-20(15-8-5-12(18)9-14(15)19)25(22,23)13-6-3-11(17)4-7-13/h3-9H,2,10H2,1H3
InChIKeyLGQVSNFGGBIRHH-UHFFFAOYSA-N
MW389.81 g/mol
LogP3.38
Rot. Bonds6

About ethyl 2-(N-(4-chlorophenyl)sulfonyl-2,4-difluoroanilino)acetate

ethyl 2-(N-(4-chlorophenyl)sulfonyl-2,4-difluoroanilino)acetate (PubChem CID 50892875) has the molecular formula C16H14ClF2NO4S and a molecular weight of 389.81 g/mol. Its IUPAC name is ethyl 2-(N-(4-chlorophenyl)sulfonyl-2,4-difluoroanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(N-(4-chlorophenyl)sulfonyl-2,4-difluoroanilino)acetate
PubChem CID50892875
Molecular FormulaC16H14ClF2NO4S
Molecular Weight389.81 g/mol
Exact Mass389.03
IUPAC Nameethyl 2-(N-(4-chlorophenyl)sulfonyl-2,4-difluoroanilino)acetate
SMILESCCOC(=O)CN(c1ccc(F)cc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClF2NO4S/c1-2-24-16(21)10-20(15-8-5-12(18)9-14(15)19)25(22,23)13-6-3-11(17)4-7-13/h3-9H,2,10H2,1H3
InChIKeyLGQVSNFGGBIRHH-UHFFFAOYSA-N
XLogP3.38
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.81
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-chloro-N-(4-fluorophenyl)sulfonyl-2-methylanilino)acetate
CID 100503333
ethyl 2-(2,4-dichloro-N-(4-chlorophenyl)sulfonylanilino)acetate
CID 50892167
2-(N-(4-chlorophenyl)sulfonyl-2,4-difluoroanilino)acetic acid
CID 50892863
ethyl 2-(2,4-dichloro-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50892222
ethyl 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetate
CID 50890111
ethyl 2-(4-chloro-N-(4-fluorophenyl)sulfonyl-3-methylanilino)acetate
CID 50895637
ethyl 2-(N-(4-fluorophenyl)sulfonyl-3,5-dimethylanilino)acetate
CID 50891887
ethyl 2-(4-bromo-N-(4-bromophenyl)sulfonyl-2-chloroanilino)acetate
CID 50893261
ethyl 2-(2,4-difluoro-N-methylanilino)acetate
CID 115257298
ethyl 2-(5-chloro-2-methoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetate
CID 100517631
ethyl 2-(N-(3-chlorophenyl)sulfonyl-4-fluoroanilino)acetate
CID 52689634
ethyl 2-(N-(4-acetamidophenyl)sulfonyl-2-fluoroanilino)acetate
CID 50889178

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(N-(4-chlorophenyl)sulfonyl-2,4-difluoroanilino)acetate?
The IUPAC name of ethyl 2-(N-(4-chlorophenyl)sulfonyl-2,4-difluoroanilino)acetate (CID 50892875) is ethyl 2-(N-(4-chlorophenyl)sulfonyl-2,4-difluoroanilino)acetate.
What is the SMILES notation for ethyl 2-(N-(4-chlorophenyl)sulfonyl-2,4-difluoroanilino)acetate?
The canonical SMILES for ethyl 2-(N-(4-chlorophenyl)sulfonyl-2,4-difluoroanilino)acetate is CCOC(=O)CN(c1ccc(F)cc1F)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-(N-(4-chlorophenyl)sulfonyl-2,4-difluoroanilino)acetate?
The InChIKey is LGQVSNFGGBIRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2NO4S/c1-2-24-16(21)10-20(15-8-5-12(18)9-14(15)19)25(22,23)13-6-3-11(17)4-7-13/h3-9H,2,10H2,1H3.
What are the key properties of ethyl 2-(N-(4-chlorophenyl)sulfonyl-2,4-difluoroanilino)acetate?
ethyl 2-(N-(4-chlorophenyl)sulfonyl-2,4-difluoroanilino)acetate has a molecular weight of 389.81 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(N-(4-chlorophenyl)sulfonyl-2,4-difluoroanilino)acetate is sourced from PubChem (CID 50892875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).