2-(2-ethylsulfonyl-N-methylanilino)acetic acid

C11H15NO4S — CID 43453508

IUPAC2-(2-ethylsulfonyl-N-methylanilino)acetic acid
SMILESCCS(=O)(=O)c1ccccc1N(C)CC(=O)O
InChIInChI=1S/C11H15NO4S/c1-3-17(15,16)10-7-5-4-6-9(10)12(2)8-11(13)14/h4-7H,3,8H2,1-2H3,(H,13,14)
InChIKeyMLXIDSISAVGQMA-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.00
Rot. Bonds5

About 2-(2-ethylsulfonyl-N-methylanilino)acetic acid

2-(2-ethylsulfonyl-N-methylanilino)acetic acid (PubChem CID 43453508) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-(2-ethylsulfonyl-N-methylanilino)acetic acid.

Molecular Properties

Compound Name2-(2-ethylsulfonyl-N-methylanilino)acetic acid
PubChem CID43453508
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name2-(2-ethylsulfonyl-N-methylanilino)acetic acid
SMILESCCS(=O)(=O)c1ccccc1N(C)CC(=O)O
InChIInChI=1S/C11H15NO4S/c1-3-17(15,16)10-7-5-4-6-9(10)12(2)8-11(13)14/h4-7H,3,8H2,1-2H3,(H,13,14)
InChIKeyMLXIDSISAVGQMA-UHFFFAOYSA-N
XLogP1.00
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-methyl-2-methylsulfonylanilino)acetic acid
CID 43453480
2-[2-(dimethylsulfamoyl)-N-methylanilino]acetic acid
CID 43454434
2-[2-ethylsulfonyl-N-(2-methylpropyl)anilino]acetic acid
CID 63064144
2-(2-ethylsulfonyl-N-prop-2-enylanilino)acetic acid
CID 79263866
5-(2-ethylsulfonyl-N-methylanilino)pentan-1-ol
CID 107203413
ethyl 3-(2-ethylsulfonyl-N-methylanilino)propanoate
CID 62007156
3-[2-(ethylsulfamoyl)-N-methylanilino]propanoic acid
CID 55025594
2-[N-butan-2-yl-2-(dimethylsulfamoyl)anilino]acetic acid
CID 60839864
2-[2-(dimethylsulfamoyl)-N-propan-2-ylanilino]acetic acid
CID 60829714
2-[2-(difluoromethylsulfonyl)-N-methylanilino]-N,N-dimethylacetamide
CID 133282320
methyl 2-[N-methyl-2-(propylsulfamoyl)anilino]acetate
CID 62005097
2-(2-bromo-N-methyl-6-methylsulfonylanilino)acetic acid
CID 120965273

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfonyl-N-methylanilino)acetic acid?
The IUPAC name of 2-(2-ethylsulfonyl-N-methylanilino)acetic acid (CID 43453508) is 2-(2-ethylsulfonyl-N-methylanilino)acetic acid.
What is the SMILES notation for 2-(2-ethylsulfonyl-N-methylanilino)acetic acid?
The canonical SMILES for 2-(2-ethylsulfonyl-N-methylanilino)acetic acid is CCS(=O)(=O)c1ccccc1N(C)CC(=O)O.
What is the InChIKey of 2-(2-ethylsulfonyl-N-methylanilino)acetic acid?
The InChIKey is MLXIDSISAVGQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-3-17(15,16)10-7-5-4-6-9(10)12(2)8-11(13)14/h4-7H,3,8H2,1-2H3,(H,13,14).
What are the key properties of 2-(2-ethylsulfonyl-N-methylanilino)acetic acid?
2-(2-ethylsulfonyl-N-methylanilino)acetic acid has a molecular weight of 257.31 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfonyl-N-methylanilino)acetic acid is sourced from PubChem (CID 43453508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).