methyl 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetate

C16H15Cl2NO4S — CID 1296284

IUPACmethyl 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetate
SMILESCOC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H15Cl2NO4S/c1-11-3-5-15(6-4-11)24(21,22)19(10-16(20)23-2)14-8-12(17)7-13(18)9-14/h3-9H,10H2,1-2H3
InChIKeyAGFCPPJLOHBQAU-UHFFFAOYSA-N
MW388.27 g/mol
LogP3.67
Rot. Bonds5

About methyl 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetate

methyl 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetate (PubChem CID 1296284) has the molecular formula C16H15Cl2NO4S and a molecular weight of 388.27 g/mol. Its IUPAC name is methyl 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetate
PubChem CID1296284
Molecular FormulaC16H15Cl2NO4S
Molecular Weight388.27 g/mol
Exact Mass387.01
IUPAC Namemethyl 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetate
SMILESCOC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H15Cl2NO4S/c1-11-3-5-15(6-4-11)24(21,22)19(10-16(20)23-2)14-8-12(17)7-13(18)9-14/h3-9H,10H2,1-2H3
InChIKeyAGFCPPJLOHBQAU-UHFFFAOYSA-N
XLogP3.67
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetate?
The IUPAC name of methyl 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetate (CID 1296284) is methyl 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetate.
What is the SMILES notation for methyl 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetate?
The canonical SMILES for methyl 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetate is COC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of methyl 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetate?
The InChIKey is AGFCPPJLOHBQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO4S/c1-11-3-5-15(6-4-11)24(21,22)19(10-16(20)23-2)14-8-12(17)7-13(18)9-14/h3-9H,10H2,1-2H3.
What are the key properties of methyl 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetate?
methyl 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetate has a molecular weight of 388.27 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetate is sourced from PubChem (CID 1296284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).