ethyl 2-(N-(3-chloro-4-methoxyphenyl)sulfonyl-2-methylanilino)acetate

C18H20ClNO5S — CID 100510086

IUPACethyl 2-(N-(3-chloro-4-methoxyphenyl)sulfonyl-2-methylanilino)acetate
SMILESCCOC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C18H20ClNO5S/c1-4-25-18(21)12-20(16-8-6-5-7-13(16)2)26(22,23)14-9-10-17(24-3)15(19)11-14/h5-11H,4,12H2,1-3H3
InChIKeyAMORSYSMBKVKDC-UHFFFAOYSA-N
MW397.88 g/mol
LogP3.42
Rot. Bonds7

About ethyl 2-(N-(3-chloro-4-methoxyphenyl)sulfonyl-2-methylanilino)acetate

ethyl 2-(N-(3-chloro-4-methoxyphenyl)sulfonyl-2-methylanilino)acetate (PubChem CID 100510086) has the molecular formula C18H20ClNO5S and a molecular weight of 397.88 g/mol. Its IUPAC name is ethyl 2-(N-(3-chloro-4-methoxyphenyl)sulfonyl-2-methylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(N-(3-chloro-4-methoxyphenyl)sulfonyl-2-methylanilino)acetate
PubChem CID100510086
Molecular FormulaC18H20ClNO5S
Molecular Weight397.88 g/mol
Exact Mass397.08
IUPAC Nameethyl 2-(N-(3-chloro-4-methoxyphenyl)sulfonyl-2-methylanilino)acetate
SMILESCCOC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C18H20ClNO5S/c1-4-25-18(21)12-20(16-8-6-5-7-13(16)2)26(22,23)14-9-10-17(24-3)15(19)11-14/h5-11H,4,12H2,1-3H3
InChIKeyAMORSYSMBKVKDC-UHFFFAOYSA-N
XLogP3.42
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.88
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(N-(3-chloro-4-methoxyphenyl)sulfonyl-2-methyl-5-nitroanilino)acetate
CID 100513871
methyl 2-(2-chloro-N-(3-chloro-4-methoxyphenyl)sulfonylanilino)acetate
CID 100510771
ethyl 4-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-3-methylbenzoate
CID 100514650
ethyl 2-(2,5-dimethoxy-N-naphthalen-2-ylsulfonylanilino)acetate
CID 100531956
methyl 2-(2-methyl-N-naphthalen-2-ylsulfonylanilino)acetate
CID 100530154
ethyl 2-(5-chloro-2-methoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetate
CID 100517631
ethyl 2-(2,4-dichloro-N-(4-chlorophenyl)sulfonylanilino)acetate
CID 50892167
ethyl 2-(3,5-dichloro-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetate
CID 100543464
ethyl 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50895722
methyl 2-(3-chloro-N-(3-chloro-4-methoxyphenyl)sulfonylanilino)acetate
CID 100510847
ethyl 2-(2-methoxy-5-methyl-N-(4-nitrophenyl)sulfonylanilino)acetate
CID 100527321
4-amino-3-chloro-N-ethyl-N-(2-methylphenyl)benzenesulfonamide
CID 115329455

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(N-(3-chloro-4-methoxyphenyl)sulfonyl-2-methylanilino)acetate?
The IUPAC name of ethyl 2-(N-(3-chloro-4-methoxyphenyl)sulfonyl-2-methylanilino)acetate (CID 100510086) is ethyl 2-(N-(3-chloro-4-methoxyphenyl)sulfonyl-2-methylanilino)acetate.
What is the SMILES notation for ethyl 2-(N-(3-chloro-4-methoxyphenyl)sulfonyl-2-methylanilino)acetate?
The canonical SMILES for ethyl 2-(N-(3-chloro-4-methoxyphenyl)sulfonyl-2-methylanilino)acetate is CCOC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1.
What is the InChIKey of ethyl 2-(N-(3-chloro-4-methoxyphenyl)sulfonyl-2-methylanilino)acetate?
The InChIKey is AMORSYSMBKVKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO5S/c1-4-25-18(21)12-20(16-8-6-5-7-13(16)2)26(22,23)14-9-10-17(24-3)15(19)11-14/h5-11H,4,12H2,1-3H3.
What are the key properties of ethyl 2-(N-(3-chloro-4-methoxyphenyl)sulfonyl-2-methylanilino)acetate?
ethyl 2-(N-(3-chloro-4-methoxyphenyl)sulfonyl-2-methylanilino)acetate has a molecular weight of 397.88 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(N-(3-chloro-4-methoxyphenyl)sulfonyl-2-methylanilino)acetate is sourced from PubChem (CID 100510086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).