2-[2-(dimethylsulfamoyl)-N-methylanilino]acetic acid

C11H16N2O4S — CID 43454434

IUPAC2-[2-(dimethylsulfamoyl)-N-methylanilino]acetic acid
SMILESCN(CC(=O)O)c1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C11H16N2O4S/c1-12(2)18(16,17)10-7-5-4-6-9(10)13(3)8-11(14)15/h4-7H,8H2,1-3H3,(H,14,15)
InChIKeyJDIWFTBFOMGDGO-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.46
Rot. Bonds5

About 2-[2-(dimethylsulfamoyl)-N-methylanilino]acetic acid

2-[2-(dimethylsulfamoyl)-N-methylanilino]acetic acid (PubChem CID 43454434) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-[2-(dimethylsulfamoyl)-N-methylanilino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylsulfamoyl)-N-methylanilino]acetic acid
PubChem CID43454434
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name2-[2-(dimethylsulfamoyl)-N-methylanilino]acetic acid
SMILESCN(CC(=O)O)c1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C11H16N2O4S/c1-12(2)18(16,17)10-7-5-4-6-9(10)13(3)8-11(14)15/h4-7H,8H2,1-3H3,(H,14,15)
InChIKeyJDIWFTBFOMGDGO-UHFFFAOYSA-N
XLogP0.46
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.46
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-ethylsulfonyl-N-methylanilino)acetic acid
CID 43453508
2-[2-(dimethylsulfamoyl)-N-propan-2-ylanilino]acetic acid
CID 60829714
2-[N-butan-2-yl-2-(dimethylsulfamoyl)anilino]acetic acid
CID 60839864
2-[2-(dimethylsulfamoyl)-N-methylanilino]-2-methylpropanoic acid
CID 62818911
2-[2-(difluoromethylsulfonyl)-N-methylanilino]-N,N-dimethylacetamide
CID 133282320
2-[2-[bis(carboxymethyl)amino]-N-(carboxymethyl)anilino]acetic acid;ethane
CID 90830010
2-[(1-bromo-2-methylpropan-2-yl)-methylamino]-N,N-dimethylbenzenesulfonamide
CID 113476487
2-[2-(difluoromethylsulfonyl)-N-propan-2-ylanilino]acetic acid
CID 60830041
2-[1-bromopropan-2-yl(methyl)amino]-N,N-dimethylbenzenesulfonamide
CID 113426409
2-[2-ethylsulfonyl-N-(2-methylpropyl)anilino]acetic acid
CID 63064144
3-[2-(ethylsulfamoyl)-N-methylanilino]propanoic acid
CID 55025594

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylsulfamoyl)-N-methylanilino]acetic acid?
The IUPAC name of 2-[2-(dimethylsulfamoyl)-N-methylanilino]acetic acid (CID 43454434) is 2-[2-(dimethylsulfamoyl)-N-methylanilino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylsulfamoyl)-N-methylanilino]acetic acid?
The canonical SMILES for 2-[2-(dimethylsulfamoyl)-N-methylanilino]acetic acid is CN(CC(=O)O)c1ccccc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-[2-(dimethylsulfamoyl)-N-methylanilino]acetic acid?
The InChIKey is JDIWFTBFOMGDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-12(2)18(16,17)10-7-5-4-6-9(10)13(3)8-11(14)15/h4-7H,8H2,1-3H3,(H,14,15).
What are the key properties of 2-[2-(dimethylsulfamoyl)-N-methylanilino]acetic acid?
2-[2-(dimethylsulfamoyl)-N-methylanilino]acetic acid has a molecular weight of 272.33 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylsulfamoyl)-N-methylanilino]acetic acid is sourced from PubChem (CID 43454434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).