ethyl 2-(2,3-dichloro-N-methylsulfonylanilino)acetate

C11H13Cl2NO4S — CID 50892384

IUPACethyl 2-(2,3-dichloro-N-methylsulfonylanilino)acetate
SMILESCCOC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O
InChIInChI=1S/C11H13Cl2NO4S/c1-3-18-10(15)7-14(19(2,16)17)9-6-4-5-8(12)11(9)13/h4-6H,3,7H2,1-2H3
InChIKeyRUKUMRLRMKIVAK-UHFFFAOYSA-N
MW326.20 g/mol
LogP2.32
Rot. Bonds5

About ethyl 2-(2,3-dichloro-N-methylsulfonylanilino)acetate

ethyl 2-(2,3-dichloro-N-methylsulfonylanilino)acetate (PubChem CID 50892384) has the molecular formula C11H13Cl2NO4S and a molecular weight of 326.20 g/mol. Its IUPAC name is ethyl 2-(2,3-dichloro-N-methylsulfonylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(2,3-dichloro-N-methylsulfonylanilino)acetate
PubChem CID50892384
Molecular FormulaC11H13Cl2NO4S
Molecular Weight326.20 g/mol
Exact Mass324.99
IUPAC Nameethyl 2-(2,3-dichloro-N-methylsulfonylanilino)acetate
SMILESCCOC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O
InChIInChI=1S/C11H13Cl2NO4S/c1-3-18-10(15)7-14(19(2,16)17)9-6-4-5-8(12)11(9)13/h4-6H,3,7H2,1-2H3
InChIKeyRUKUMRLRMKIVAK-UHFFFAOYSA-N
XLogP2.32
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetate
CID 50889406
N-[2-(2,3-dichloro-N-methylsulfonylanilino)ethyl]acetamide
CID 113072046
ethyl 2-(N-methylsulfonyl-2-propan-2-ylanilino)acetate
CID 50893699
ethyl 2-(2,6-dimethyl-N-methylsulfonylanilino)acetate
CID 2217801
N-[(2R)-butan-2-yl]-2-(2,3-dichloro-N-methylsulfonylanilino)acetamide
CID 124748964
ethyl 2-(N-methylsulfonylanilino)acetate
CID 5001910
2-(2,3-dichloro-N-methylsulfonylanilino)-N-(2-methoxyethyl)acetamide
CID 46919892
ethyl 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50895722
2-(2,3-dichloro-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 46771835
(2S)-2-[[2-(2,3-dichloro-N-methylsulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100559859
(2R)-2-[[2-(2,3-dichloro-N-methylsulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100559853
methyl 3-[[2-(2,3-dichloro-N-methylsulfonylanilino)acetyl]amino]-2-methylbenzoate
CID 21371889

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3-dichloro-N-methylsulfonylanilino)acetate?
The IUPAC name of ethyl 2-(2,3-dichloro-N-methylsulfonylanilino)acetate (CID 50892384) is ethyl 2-(2,3-dichloro-N-methylsulfonylanilino)acetate.
What is the SMILES notation for ethyl 2-(2,3-dichloro-N-methylsulfonylanilino)acetate?
The canonical SMILES for ethyl 2-(2,3-dichloro-N-methylsulfonylanilino)acetate is CCOC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O.
What is the InChIKey of ethyl 2-(2,3-dichloro-N-methylsulfonylanilino)acetate?
The InChIKey is RUKUMRLRMKIVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO4S/c1-3-18-10(15)7-14(19(2,16)17)9-6-4-5-8(12)11(9)13/h4-6H,3,7H2,1-2H3.
What are the key properties of ethyl 2-(2,3-dichloro-N-methylsulfonylanilino)acetate?
ethyl 2-(2,3-dichloro-N-methylsulfonylanilino)acetate has a molecular weight of 326.20 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3-dichloro-N-methylsulfonylanilino)acetate is sourced from PubChem (CID 50892384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).