2-[4-chloro-2-(2-chloro-4-methylsulfonylphenoxy)-N-methylanilino]acetic acid

C16H15Cl2NO5S — CID 11711148

IUPAC2-[4-chloro-2-(2-chloro-4-methylsulfonylphenoxy)-N-methylanilino]acetic acid
SMILESCN(CC(=O)O)c1ccc(Cl)cc1Oc1ccc(S(C)(=O)=O)cc1Cl
InChIInChI=1S/C16H15Cl2NO5S/c1-19(9-16(20)21)13-5-3-10(17)7-15(13)24-14-6-4-11(8-12(14)18)25(2,22)23/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeyUAGYKTKHPODKBM-UHFFFAOYSA-N
MW404.27 g/mol
LogP3.71
Rot. Bonds6

About 2-[4-chloro-2-(2-chloro-4-methylsulfonylphenoxy)-N-methylanilino]acetic acid

2-[4-chloro-2-(2-chloro-4-methylsulfonylphenoxy)-N-methylanilino]acetic acid (PubChem CID 11711148) has the molecular formula C16H15Cl2NO5S and a molecular weight of 404.27 g/mol. Its IUPAC name is 2-[4-chloro-2-(2-chloro-4-methylsulfonylphenoxy)-N-methylanilino]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-2-(2-chloro-4-methylsulfonylphenoxy)-N-methylanilino]acetic acid
PubChem CID11711148
Molecular FormulaC16H15Cl2NO5S
Molecular Weight404.27 g/mol
Exact Mass403.00
IUPAC Name2-[4-chloro-2-(2-chloro-4-methylsulfonylphenoxy)-N-methylanilino]acetic acid
SMILESCN(CC(=O)O)c1ccc(Cl)cc1Oc1ccc(S(C)(=O)=O)cc1Cl
InChIInChI=1S/C16H15Cl2NO5S/c1-19(9-16(20)21)13-5-3-10(17)7-15(13)24-14-6-4-11(8-12(14)18)25(2,22)23/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeyUAGYKTKHPODKBM-UHFFFAOYSA-N
XLogP3.71
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.27
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-chloro-2-(2-chloro-4-methylsulfonylphenoxy)-N-methylanilino]acetic acid 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

[4-chloro-2-(2-chloro-N-methyl-4-methylsulfonylanilino)phenyl] acetate
CID 68846058
2-(2,4-dichlorophenoxy)-5-methylsulfonylaniline
CID 43448156
2-[4-chloro-2-(2-chloro-4-ethylsulfonylphenoxy)phenoxy]acetic acid
CID 11338670
2-[4-chloro-2-(2-chloro-4-methylsulfonylphenyl)phenoxy]acetic acid
CID 54586637
2-(2-chloro-4-methylsulfonylphenoxy)-4,5-difluorophenol
CID 68843580
2-[(2-chloro-5-methylsulfonylphenyl)sulfonyl-methylamino]acetic acid
CID 43245200
3-[2-(2-chloro-4-methylsulfonylphenoxy)-4-(trifluoromethyl)phenyl]propanoic acid
CID 11625977
2-(2,4-dichlorophenoxy)ethyl 2-chloro-5-methylsulfonylbenzoate
CID 2502520
3-chloro-4-(2,5-dichlorophenoxy)benzenesulfonyl chloride
CID 61375214
2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]acetic acid
CID 13409359
3-[2-(2-chloro-4-methylsulfonylphenoxy)-4-fluorophenoxy]prop-1-en-2-ol
CID 143006225
2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetic acid
CID 43351470

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(2-chloro-4-methylsulfonylphenoxy)-N-methylanilino]acetic acid?
The IUPAC name of 2-[4-chloro-2-(2-chloro-4-methylsulfonylphenoxy)-N-methylanilino]acetic acid (CID 11711148) is 2-[4-chloro-2-(2-chloro-4-methylsulfonylphenoxy)-N-methylanilino]acetic acid.
What is the SMILES notation for 2-[4-chloro-2-(2-chloro-4-methylsulfonylphenoxy)-N-methylanilino]acetic acid?
The canonical SMILES for 2-[4-chloro-2-(2-chloro-4-methylsulfonylphenoxy)-N-methylanilino]acetic acid is CN(CC(=O)O)c1ccc(Cl)cc1Oc1ccc(S(C)(=O)=O)cc1Cl.
What is the InChIKey of 2-[4-chloro-2-(2-chloro-4-methylsulfonylphenoxy)-N-methylanilino]acetic acid?
The InChIKey is UAGYKTKHPODKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO5S/c1-19(9-16(20)21)13-5-3-10(17)7-15(13)24-14-6-4-11(8-12(14)18)25(2,22)23/h3-8H,9H2,1-2H3,(H,20,21).
What are the key properties of 2-[4-chloro-2-(2-chloro-4-methylsulfonylphenoxy)-N-methylanilino]acetic acid?
2-[4-chloro-2-(2-chloro-4-methylsulfonylphenoxy)-N-methylanilino]acetic acid has a molecular weight of 404.27 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(2-chloro-4-methylsulfonylphenoxy)-N-methylanilino]acetic acid is sourced from PubChem (CID 11711148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).