2-[(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-methylamino]-N-methylacetamide

C12H16Cl2N2O3S — CID 17404192

IUPAC2-[(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl
InChIInChI=1S/C12H16Cl2N2O3S/c1-7-5-9(13)8(2)12(11(7)14)20(18,19)16(4)6-10(17)15-3/h5H,6H2,1-4H3,(H,15,17)
InChIKeyOLTOHZVULCIXTJ-UHFFFAOYSA-N
MW339.24 g/mol
LogP1.98
Rot. Bonds4

About 2-[(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-methylamino]-N-methylacetamide

2-[(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-methylamino]-N-methylacetamide (PubChem CID 17404192) has the molecular formula C12H16Cl2N2O3S and a molecular weight of 339.24 g/mol. Its IUPAC name is 2-[(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-methylamino]-N-methylacetamide
PubChem CID17404192
Molecular FormulaC12H16Cl2N2O3S
Molecular Weight339.24 g/mol
Exact Mass338.03
IUPAC Name2-[(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl
InChIInChI=1S/C12H16Cl2N2O3S/c1-7-5-9(13)8(2)12(11(7)14)20(18,19)16(4)6-10(17)15-3/h5H,6H2,1-4H3,(H,15,17)
InChIKeyOLTOHZVULCIXTJ-UHFFFAOYSA-N
XLogP1.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-methylamino]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-amino-2,6-dimethylphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 79589010
N-(2-aminoethyl)-2,5-dichloro-N,3,6-trimethylbenzenesulfonamide
CID 55104182
2-[(4-chloro-2-methyl-5-nitrophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 80718138
2,4-dichloro-5-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 43215462
2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 43374774
2-[(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-methylamino]propanoic acid
CID 62626066
2-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 43374804
2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 26943095
2-[(4-amino-2-methylphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 43374780
lithium;2,5-dichloro-3,6-dimethylbenzenesulfonic acid;hydride
CID 174049527
2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 28536385
lithium 2,5-dichloro-3,6-dimethylbenzenesulfonate
CID 162685742

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-methylamino]-N-methylacetamide?
The IUPAC name of 2-[(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-methylamino]-N-methylacetamide (CID 17404192) is 2-[(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-methylamino]-N-methylacetamide is CNC(=O)CN(C)S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl.
What is the InChIKey of 2-[(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-methylamino]-N-methylacetamide?
The InChIKey is OLTOHZVULCIXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O3S/c1-7-5-9(13)8(2)12(11(7)14)20(18,19)16(4)6-10(17)15-3/h5H,6H2,1-4H3,(H,15,17).
What are the key properties of 2-[(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-methylamino]-N-methylacetamide?
2-[(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-methylamino]-N-methylacetamide has a molecular weight of 339.24 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 17404192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).