2-(N-(3,4-dichlorophenyl)sulfonyl-2,6-dimethylanilino)acetic acid

C16H15Cl2NO4S — CID 50892060

IUPAC2-(N-(3,4-dichlorophenyl)sulfonyl-2,6-dimethylanilino)acetic acid
SMILESCc1cccc(C)c1N(CC(=O)O)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl2NO4S/c1-10-4-3-5-11(2)16(10)19(9-15(20)21)24(22,23)12-6-7-13(17)14(18)8-12/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeyGISDJWXHSKNKBN-UHFFFAOYSA-N
MW388.27 g/mol
LogP3.89
Rot. Bonds5

About 2-(N-(3,4-dichlorophenyl)sulfonyl-2,6-dimethylanilino)acetic acid

2-(N-(3,4-dichlorophenyl)sulfonyl-2,6-dimethylanilino)acetic acid (PubChem CID 50892060) has the molecular formula C16H15Cl2NO4S and a molecular weight of 388.27 g/mol. Its IUPAC name is 2-(N-(3,4-dichlorophenyl)sulfonyl-2,6-dimethylanilino)acetic acid.

Molecular Properties

Compound Name2-(N-(3,4-dichlorophenyl)sulfonyl-2,6-dimethylanilino)acetic acid
PubChem CID50892060
Molecular FormulaC16H15Cl2NO4S
Molecular Weight388.27 g/mol
Exact Mass387.01
IUPAC Name2-(N-(3,4-dichlorophenyl)sulfonyl-2,6-dimethylanilino)acetic acid
SMILESCc1cccc(C)c1N(CC(=O)O)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl2NO4S/c1-10-4-3-5-11(2)16(10)19(9-15(20)21)24(22,23)12-6-7-13(17)14(18)8-12/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeyGISDJWXHSKNKBN-UHFFFAOYSA-N
XLogP3.89
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(N-(3,4-dichlorophenyl)sulfonyl-2,6-dimethylanilino)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

3-(N-(3,4-dichlorophenyl)sulfonyl-2,4,6-trimethylanilino)propanoic acid
CID 50892318
2-(N-(3,4-dichlorophenyl)sulfonyl-2,6-diethylanilino)acetamide
CID 50895419
2-(N-(4-acetamidophenyl)sulfonyl-2,6-dichloroanilino)acetic acid
CID 50889394
3,4-dichloro-N-(2,6-diethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50895453
3-(N-(2,5-dichlorophenyl)sulfonyl-2,6-dimethylanilino)propanoic acid
CID 50892137
3-(N-(3,4-dichlorophenyl)sulfonyl-2,4-dimethylanilino)propanoic acid
CID 50891652
methyl 2-(N-(3,4-dichlorophenyl)sulfonylanilino)acetate
CID 50889553
2-(3-chloro-2-methyl-N-naphthalen-2-ylsulfonylanilino)acetic acid
CID 100533072
methyl 2-(3-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methylanilino)acetate
CID 50895551
3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide
CID 2234505
4-(N-(3,4-dichlorophenyl)sulfonylanilino)butanoic acid
CID 50889582
4-(N-(3,4-dichlorophenyl)sulfonyl-2,5-dimethylanilino)butanoic acid
CID 50891674

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3,4-dichlorophenyl)sulfonyl-2,6-dimethylanilino)acetic acid?
The IUPAC name of 2-(N-(3,4-dichlorophenyl)sulfonyl-2,6-dimethylanilino)acetic acid (CID 50892060) is 2-(N-(3,4-dichlorophenyl)sulfonyl-2,6-dimethylanilino)acetic acid.
What is the SMILES notation for 2-(N-(3,4-dichlorophenyl)sulfonyl-2,6-dimethylanilino)acetic acid?
The canonical SMILES for 2-(N-(3,4-dichlorophenyl)sulfonyl-2,6-dimethylanilino)acetic acid is Cc1cccc(C)c1N(CC(=O)O)S(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(N-(3,4-dichlorophenyl)sulfonyl-2,6-dimethylanilino)acetic acid?
The InChIKey is GISDJWXHSKNKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO4S/c1-10-4-3-5-11(2)16(10)19(9-15(20)21)24(22,23)12-6-7-13(17)14(18)8-12/h3-8H,9H2,1-2H3,(H,20,21).
What are the key properties of 2-(N-(3,4-dichlorophenyl)sulfonyl-2,6-dimethylanilino)acetic acid?
2-(N-(3,4-dichlorophenyl)sulfonyl-2,6-dimethylanilino)acetic acid has a molecular weight of 388.27 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3,4-dichlorophenyl)sulfonyl-2,6-dimethylanilino)acetic acid is sourced from PubChem (CID 50892060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).