2-[(2,6-dichlorophenyl)sulfonyl-methylamino]acetic acid

C9H9Cl2NO4S — CID 43091528

IUPAC2-[(2,6-dichlorophenyl)sulfonyl-methylamino]acetic acid
SMILESCN(CC(=O)O)S(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C9H9Cl2NO4S/c1-12(5-8(13)14)17(15,16)9-6(10)3-2-4-7(9)11/h2-4H,5H2,1H3,(H,13,14)
InChIKeyUMVISUHOSGKDLH-UHFFFAOYSA-N
MW298.15 g/mol
LogP1.70
Rot. Bonds4

About 2-[(2,6-dichlorophenyl)sulfonyl-methylamino]acetic acid

2-[(2,6-dichlorophenyl)sulfonyl-methylamino]acetic acid (PubChem CID 43091528) has the molecular formula C9H9Cl2NO4S and a molecular weight of 298.15 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)sulfonyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)sulfonyl-methylamino]acetic acid
PubChem CID43091528
Molecular FormulaC9H9Cl2NO4S
Molecular Weight298.15 g/mol
Exact Mass296.96
IUPAC Name2-[(2,6-dichlorophenyl)sulfonyl-methylamino]acetic acid
SMILESCN(CC(=O)O)S(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C9H9Cl2NO4S/c1-12(5-8(13)14)17(15,16)9-6(10)3-2-4-7(9)11/h2-4H,5H2,1H3,(H,13,14)
InChIKeyUMVISUHOSGKDLH-UHFFFAOYSA-N
XLogP1.70
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.15
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2,6-dichlorophenyl)sulfonyl-methylamino]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

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)sulfonyl-methylamino]acetic acid?
The IUPAC name of 2-[(2,6-dichlorophenyl)sulfonyl-methylamino]acetic acid (CID 43091528) is 2-[(2,6-dichlorophenyl)sulfonyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)sulfonyl-methylamino]acetic acid?
The canonical SMILES for 2-[(2,6-dichlorophenyl)sulfonyl-methylamino]acetic acid is CN(CC(=O)O)S(=O)(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-[(2,6-dichlorophenyl)sulfonyl-methylamino]acetic acid?
The InChIKey is UMVISUHOSGKDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO4S/c1-12(5-8(13)14)17(15,16)9-6(10)3-2-4-7(9)11/h2-4H,5H2,1H3,(H,13,14).
What are the key properties of 2-[(2,6-dichlorophenyl)sulfonyl-methylamino]acetic acid?
2-[(2,6-dichlorophenyl)sulfonyl-methylamino]acetic acid has a molecular weight of 298.15 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)sulfonyl-methylamino]acetic acid is sourced from PubChem (CID 43091528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).