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

C13H20N2O4S — CID 62818911

IUPAC2-[2-(dimethylsulfamoyl)-N-methylanilino]-2-methylpropanoic acid
SMILESCN(c1ccccc1S(=O)(=O)N(C)C)C(C)(C)C(=O)O
InChIInChI=1S/C13H20N2O4S/c1-13(2,12(16)17)15(5)10-8-6-7-9-11(10)20(18,19)14(3)4/h6-9H,1-5H3,(H,16,17)
InChIKeyLZEDMJUIDBDEGT-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.24
Rot. Bonds5

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

2-[2-(dimethylsulfamoyl)-N-methylanilino]-2-methylpropanoic acid (PubChem CID 62818911) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[2-(dimethylsulfamoyl)-N-methylanilino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-(dimethylsulfamoyl)-N-methylanilino]-2-methylpropanoic acid
PubChem CID62818911
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name2-[2-(dimethylsulfamoyl)-N-methylanilino]-2-methylpropanoic acid
SMILESCN(c1ccccc1S(=O)(=O)N(C)C)C(C)(C)C(=O)O
InChIInChI=1S/C13H20N2O4S/c1-13(2,12(16)17)15(5)10-8-6-7-9-11(10)20(18,19)14(3)4/h6-9H,1-5H3,(H,16,17)
InChIKeyLZEDMJUIDBDEGT-UHFFFAOYSA-N
XLogP1.24
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-bromo-2-methylpropan-2-yl)-methylamino]-N,N-dimethylbenzenesulfonamide
CID 113476487
2-[2-(dimethylsulfamoyl)-N-methylanilino]acetic acid
CID 43454434
2-[2-(dimethylsulfamoyl)-N-propan-2-ylanilino]acetic acid
CID 60829714
2-[benzenesulfonyl(methyl)amino]-2-methylpropanoic acid
CID 62818706
2-[N-butan-2-yl-2-(dimethylsulfamoyl)anilino]acetic acid
CID 60839864
2-(3,3-dimethyl-2-oxobutyl)-N,N-dimethylbenzenesulfonamide
CID 63198745
N,N-dimethyl-2-phenylbenzenesulfonamide
CID 19014102
2-[1-bromopropan-2-yl(methyl)amino]-N,N-dimethylbenzenesulfonamide
CID 113426409
2-methyl-2-(N,2,4-trimethylanilino)propanoic acid
CID 114988793
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N,N-dimethylbenzenesulfonamide
CID 79665643
1-benzyl-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea
CID 24664693
4-(dimethylamino)-3-(dimethylsulfamoyl)benzoic acid
CID 99988945

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylsulfamoyl)-N-methylanilino]-2-methylpropanoic acid?
The IUPAC name of 2-[2-(dimethylsulfamoyl)-N-methylanilino]-2-methylpropanoic acid (CID 62818911) is 2-[2-(dimethylsulfamoyl)-N-methylanilino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-(dimethylsulfamoyl)-N-methylanilino]-2-methylpropanoic acid?
The canonical SMILES for 2-[2-(dimethylsulfamoyl)-N-methylanilino]-2-methylpropanoic acid is CN(c1ccccc1S(=O)(=O)N(C)C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[2-(dimethylsulfamoyl)-N-methylanilino]-2-methylpropanoic acid?
The InChIKey is LZEDMJUIDBDEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-13(2,12(16)17)15(5)10-8-6-7-9-11(10)20(18,19)14(3)4/h6-9H,1-5H3,(H,16,17).
What are the key properties of 2-[2-(dimethylsulfamoyl)-N-methylanilino]-2-methylpropanoic acid?
2-[2-(dimethylsulfamoyl)-N-methylanilino]-2-methylpropanoic acid has a molecular weight of 300.38 g/mol, XLogP of 1.24, 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]-2-methylpropanoic acid is sourced from PubChem (CID 62818911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).