ethyl 2-(5-chloro-N-ethylsulfonyl-2-methoxyanilino)acetate

C13H18ClNO5S — CID 50895054

IUPACethyl 2-(5-chloro-N-ethylsulfonyl-2-methoxyanilino)acetate
SMILESCCOC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)CC
InChIInChI=1S/C13H18ClNO5S/c1-4-20-13(16)9-15(21(17,18)5-2)11-8-10(14)6-7-12(11)19-3/h6-8H,4-5,9H2,1-3H3
InChIKeyDGYXBMYMJNXZAH-UHFFFAOYSA-N
MW335.81 g/mol
LogP2.07
Rot. Bonds7

About ethyl 2-(5-chloro-N-ethylsulfonyl-2-methoxyanilino)acetate

ethyl 2-(5-chloro-N-ethylsulfonyl-2-methoxyanilino)acetate (PubChem CID 50895054) has the molecular formula C13H18ClNO5S and a molecular weight of 335.81 g/mol. Its IUPAC name is ethyl 2-(5-chloro-N-ethylsulfonyl-2-methoxyanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(5-chloro-N-ethylsulfonyl-2-methoxyanilino)acetate
PubChem CID50895054
Molecular FormulaC13H18ClNO5S
Molecular Weight335.81 g/mol
Exact Mass335.06
IUPAC Nameethyl 2-(5-chloro-N-ethylsulfonyl-2-methoxyanilino)acetate
SMILESCCOC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)CC
InChIInChI=1S/C13H18ClNO5S/c1-4-20-13(16)9-15(21(17,18)5-2)11-8-10(14)6-7-12(11)19-3/h6-8H,4-5,9H2,1-3H3
InChIKeyDGYXBMYMJNXZAH-UHFFFAOYSA-N
XLogP2.07
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(5-chloro-2-methoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetate
CID 100517631
methyl 2-(5-chloro-2-methoxy-N-thiophen-2-ylsulfonylanilino)acetate
CID 100549387
methyl 2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)acetate
CID 50894816
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 28574072
ethyl 2-(3,5-dichloro-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetate
CID 100543464
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-methylacetamide
CID 904036
ethyl 2-(2,4-dichloro-N-(4-chlorophenyl)sulfonylanilino)acetate
CID 50892167
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetamide
CID 1102414
ethyl 2-[[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 994330
ethyl 2-(2-methoxy-5-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetate
CID 100517701
ethyl 2-(N-(3-chloro-4-methoxyphenyl)sulfonyl-2-methylanilino)acetate
CID 100510086
3-amino-N-(5-chloro-2-methoxyphenyl)-N-ethylpropanamide
CID 28795390

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-chloro-N-ethylsulfonyl-2-methoxyanilino)acetate?
The IUPAC name of ethyl 2-(5-chloro-N-ethylsulfonyl-2-methoxyanilino)acetate (CID 50895054) is ethyl 2-(5-chloro-N-ethylsulfonyl-2-methoxyanilino)acetate.
What is the SMILES notation for ethyl 2-(5-chloro-N-ethylsulfonyl-2-methoxyanilino)acetate?
The canonical SMILES for ethyl 2-(5-chloro-N-ethylsulfonyl-2-methoxyanilino)acetate is CCOC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)CC.
What is the InChIKey of ethyl 2-(5-chloro-N-ethylsulfonyl-2-methoxyanilino)acetate?
The InChIKey is DGYXBMYMJNXZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO5S/c1-4-20-13(16)9-15(21(17,18)5-2)11-8-10(14)6-7-12(11)19-3/h6-8H,4-5,9H2,1-3H3.
What are the key properties of ethyl 2-(5-chloro-N-ethylsulfonyl-2-methoxyanilino)acetate?
ethyl 2-(5-chloro-N-ethylsulfonyl-2-methoxyanilino)acetate has a molecular weight of 335.81 g/mol, XLogP of 2.07, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-chloro-N-ethylsulfonyl-2-methoxyanilino)acetate is sourced from PubChem (CID 50895054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).