2-(2,3-dimethyl-N-methylsulfonylanilino)acetic acid

C11H15NO4S — CID 975035

IUPAC2-(2,3-dimethyl-N-methylsulfonylanilino)acetic acid
SMILESCc1cccc(N(CC(=O)O)S(C)(=O)=O)c1C
InChIInChI=1S/C11H15NO4S/c1-8-5-4-6-10(9(8)2)12(7-11(13)14)17(3,15)16/h4-6H,7H2,1-3H3,(H,13,14)
InChIKeyXDGKCDLOAWRWJU-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.15
Rot. Bonds4

About 2-(2,3-dimethyl-N-methylsulfonylanilino)acetic acid

2-(2,3-dimethyl-N-methylsulfonylanilino)acetic acid (PubChem CID 975035) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-(2,3-dimethyl-N-methylsulfonylanilino)acetic acid.

Molecular Properties

Compound Name2-(2,3-dimethyl-N-methylsulfonylanilino)acetic acid
PubChem CID975035
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name2-(2,3-dimethyl-N-methylsulfonylanilino)acetic acid
SMILESCc1cccc(N(CC(=O)O)S(C)(=O)=O)c1C
InChIInChI=1S/C11H15NO4S/c1-8-5-4-6-10(9(8)2)12(7-11(13)14)17(3,15)16/h4-6H,7H2,1-3H3,(H,13,14)
InChIKeyXDGKCDLOAWRWJU-UHFFFAOYSA-N
XLogP1.15
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 3383232
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113154075
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 113154047
N-cyclohexyl-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
CID 700395
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 3147408
N-(4-cyanophenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
CID 113154098
2-(N-formyl-2,3-dimethylanilino)acetic acid
CID 4091384
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
CID 126035464
3-(2,3-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 113142556
3-[N-(benzenesulfonyl)-2,3-dimethylanilino]propanoic acid
CID 50891386
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 133166559
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
CID 124775916

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-N-methylsulfonylanilino)acetic acid?
The IUPAC name of 2-(2,3-dimethyl-N-methylsulfonylanilino)acetic acid (CID 975035) is 2-(2,3-dimethyl-N-methylsulfonylanilino)acetic acid.
What is the SMILES notation for 2-(2,3-dimethyl-N-methylsulfonylanilino)acetic acid?
The canonical SMILES for 2-(2,3-dimethyl-N-methylsulfonylanilino)acetic acid is Cc1cccc(N(CC(=O)O)S(C)(=O)=O)c1C.
What is the InChIKey of 2-(2,3-dimethyl-N-methylsulfonylanilino)acetic acid?
The InChIKey is XDGKCDLOAWRWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-8-5-4-6-10(9(8)2)12(7-11(13)14)17(3,15)16/h4-6H,7H2,1-3H3,(H,13,14).
What are the key properties of 2-(2,3-dimethyl-N-methylsulfonylanilino)acetic acid?
2-(2,3-dimethyl-N-methylsulfonylanilino)acetic acid has a molecular weight of 257.31 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-N-methylsulfonylanilino)acetic acid is sourced from PubChem (CID 975035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).