2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetic acid

C10H12ClNO4S — CID 846773

IUPAC2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetic acid
SMILESCc1c(Cl)cccc1N(CC(=O)O)S(C)(=O)=O
InChIInChI=1S/C10H12ClNO4S/c1-7-8(11)4-3-5-9(7)12(6-10(13)14)17(2,15)16/h3-5H,6H2,1-2H3,(H,13,14)
InChIKeyGVGVHTCXGXVEFM-UHFFFAOYSA-N
MW277.73 g/mol
LogP1.50
Rot. Bonds4

About 2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetic acid

2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetic acid (PubChem CID 846773) has the molecular formula C10H12ClNO4S and a molecular weight of 277.73 g/mol. Its IUPAC name is 2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetic acid.

Molecular Properties

Compound Name2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetic acid
PubChem CID846773
Molecular FormulaC10H12ClNO4S
Molecular Weight277.73 g/mol
Exact Mass277.02
IUPAC Name2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetic acid
SMILESCc1c(Cl)cccc1N(CC(=O)O)S(C)(=O)=O
InChIInChI=1S/C10H12ClNO4S/c1-7-8(11)4-3-5-9(7)12(6-10(13)14)17(2,15)16/h3-5H,6H2,1-2H3,(H,13,14)
InChIKeyGVGVHTCXGXVEFM-UHFFFAOYSA-N
XLogP1.50
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-chloro-2-methyl-N-methylsulfonylanilino)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-(3-chloro-2-methyl-N-methylsulfonylanilino)acetic acid?
The IUPAC name of 2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetic acid (CID 846773) is 2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetic acid.
What is the SMILES notation for 2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetic acid?
The canonical SMILES for 2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetic acid is Cc1c(Cl)cccc1N(CC(=O)O)S(C)(=O)=O.
What is the InChIKey of 2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetic acid?
The InChIKey is GVGVHTCXGXVEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO4S/c1-7-8(11)4-3-5-9(7)12(6-10(13)14)17(2,15)16/h3-5H,6H2,1-2H3,(H,13,14).
What are the key properties of 2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetic acid?
2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetic acid has a molecular weight of 277.73 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetic acid is sourced from PubChem (CID 846773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).