ethyl 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetate

C16H15Cl2NO4S — CID 50890111

IUPACethyl 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetate
SMILESCCOC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl2NO4S/c1-2-23-16(20)11-19(14-5-3-4-13(18)10-14)24(21,22)15-8-6-12(17)7-9-15/h3-10H,2,11H2,1H3
InChIKeyGGOPYGAOHFLYTK-UHFFFAOYSA-N
MW388.27 g/mol
LogP3.75
Rot. Bonds6

About ethyl 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetate

ethyl 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetate (PubChem CID 50890111) has the molecular formula C16H15Cl2NO4S and a molecular weight of 388.27 g/mol. Its IUPAC name is ethyl 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetate
PubChem CID50890111
Molecular FormulaC16H15Cl2NO4S
Molecular Weight388.27 g/mol
Exact Mass387.01
IUPAC Nameethyl 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetate
SMILESCCOC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl2NO4S/c1-2-23-16(20)11-19(14-5-3-4-13(18)10-14)24(21,22)15-8-6-12(17)7-9-15/h3-10H,2,11H2,1H3
InChIKeyGGOPYGAOHFLYTK-UHFFFAOYSA-N
XLogP3.75
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2,4-dichloro-N-(4-chlorophenyl)sulfonylanilino)acetate
CID 50892167
ethyl 2-(N-(3-chlorophenyl)sulfonyl-4-fluoroanilino)acetate
CID 52689634
propan-2-yl 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50890197
methyl 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetate
CID 27014139
ethyl 2-(2,4-dichloro-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50892222
2-(3-chloro-N-(2-ethoxy-2-oxoethyl)sulfonylanilino)acetic acid
CID 61456711
ethyl 4-[2-[N-(benzenesulfonyl)-3-chloroanilino]acetyl]piperazine-1-carboxylate
CID 2899671
ethyl 2-(4-chloro-N-(4-fluorophenyl)sulfonyl-2-methylanilino)acetate
CID 100503333
ethyl 2-(N-(4-chlorophenyl)sulfonyl-2,4-difluoroanilino)acetate
CID 50892875
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 92675301
ethyl 2-(N-(4-fluorophenyl)sulfonyl-3-methoxyanilino)acetate
CID 50891577
ethyl 2-[N-(3,4-dichlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetate
CID 50893211

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetate?
The IUPAC name of ethyl 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetate (CID 50890111) is ethyl 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetate.
What is the SMILES notation for ethyl 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetate?
The canonical SMILES for ethyl 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetate is CCOC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetate?
The InChIKey is GGOPYGAOHFLYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO4S/c1-2-23-16(20)11-19(14-5-3-4-13(18)10-14)24(21,22)15-8-6-12(17)7-9-15/h3-10H,2,11H2,1H3.
What are the key properties of ethyl 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetate?
ethyl 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetate has a molecular weight of 388.27 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetate is sourced from PubChem (CID 50890111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).