methyl 2-[2-chloro-4-[(3,4-dichlorophenyl)sulfamoyl]phenoxy]acetate

C15H12Cl3NO5S — CID 2206278

IUPACmethyl 2-[2-chloro-4-[(3,4-dichlorophenyl)sulfamoyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl
InChIInChI=1S/C15H12Cl3NO5S/c1-23-15(20)8-24-14-5-3-10(7-13(14)18)25(21,22)19-9-2-4-11(16)12(17)6-9/h2-7,19H,8H2,1H3
InChIKeyQDKZOKLBTINDOU-UHFFFAOYSA-N
MW424.69 g/mol
LogP4.00
Rot. Bonds6

About methyl 2-[2-chloro-4-[(3,4-dichlorophenyl)sulfamoyl]phenoxy]acetate

methyl 2-[2-chloro-4-[(3,4-dichlorophenyl)sulfamoyl]phenoxy]acetate (PubChem CID 2206278) has the molecular formula C15H12Cl3NO5S and a molecular weight of 424.69 g/mol. Its IUPAC name is methyl 2-[2-chloro-4-[(3,4-dichlorophenyl)sulfamoyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-chloro-4-[(3,4-dichlorophenyl)sulfamoyl]phenoxy]acetate
PubChem CID2206278
Molecular FormulaC15H12Cl3NO5S
Molecular Weight424.69 g/mol
Exact Mass422.95
IUPAC Namemethyl 2-[2-chloro-4-[(3,4-dichlorophenyl)sulfamoyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl
InChIInChI=1S/C15H12Cl3NO5S/c1-23-15(20)8-24-14-5-3-10(7-13(14)18)25(21,22)19-9-2-4-11(16)12(17)6-9/h2-7,19H,8H2,1H3
InChIKeyQDKZOKLBTINDOU-UHFFFAOYSA-N
XLogP4.00
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.69
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[2-chloro-4-[(3,4-dichlorophenyl)sulfamoyl]phenoxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate
CID 3457801
methyl 2-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenoxy]acetate
CID 1210695
N-[4-[(3,4-dichlorophenyl)sulfonylamino]-2-methoxyphenyl]acetamide
CID 55902732
3-chloro-4-phenacyloxy-N-phenylbenzenesulfonamide
CID 2825046
N-(3-chloro-4-ethoxyphenyl)-4-methoxybenzenesulfonamide
CID 110777436
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide
CID 126393256
2-chloro-N-(3-chloro-4-ethoxyphenyl)pyridine-4-sulfonamide
CID 61041107
2-chloro-N-(3-chloro-4-ethoxyphenyl)pyrimidine-5-sulfonamide
CID 61040955
methyl 4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate
CID 26487204
4-[(3,4-dichlorophenyl)sulfonylamino]-N-methoxybenzamide
CID 18154799
4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 808097
5-[(3,4-dichlorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 24502195

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-chloro-4-[(3,4-dichlorophenyl)sulfamoyl]phenoxy]acetate?
The IUPAC name of methyl 2-[2-chloro-4-[(3,4-dichlorophenyl)sulfamoyl]phenoxy]acetate (CID 2206278) is methyl 2-[2-chloro-4-[(3,4-dichlorophenyl)sulfamoyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[2-chloro-4-[(3,4-dichlorophenyl)sulfamoyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[2-chloro-4-[(3,4-dichlorophenyl)sulfamoyl]phenoxy]acetate is COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl.
What is the InChIKey of methyl 2-[2-chloro-4-[(3,4-dichlorophenyl)sulfamoyl]phenoxy]acetate?
The InChIKey is QDKZOKLBTINDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3NO5S/c1-23-15(20)8-24-14-5-3-10(7-13(14)18)25(21,22)19-9-2-4-11(16)12(17)6-9/h2-7,19H,8H2,1H3.
What are the key properties of methyl 2-[2-chloro-4-[(3,4-dichlorophenyl)sulfamoyl]phenoxy]acetate?
methyl 2-[2-chloro-4-[(3,4-dichlorophenyl)sulfamoyl]phenoxy]acetate has a molecular weight of 424.69 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-chloro-4-[(3,4-dichlorophenyl)sulfamoyl]phenoxy]acetate is sourced from PubChem (CID 2206278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).