2-[(3,5-dichlorophenyl)sulfonyl-methylamino]-N-(2,6-dimethylphenyl)acetamide

C17H18Cl2N2O3S — CID 26941934

IUPAC2-[(3,5-dichlorophenyl)sulfonyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H18Cl2N2O3S/c1-11-5-4-6-12(2)17(11)20-16(22)10-21(3)25(23,24)15-8-13(18)7-14(19)9-15/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyUPPQTCFLXBZWMO-UHFFFAOYSA-N
MW401.32 g/mol
LogP3.87
Rot. Bonds5

About 2-[(3,5-dichlorophenyl)sulfonyl-methylamino]-N-(2,6-dimethylphenyl)acetamide

2-[(3,5-dichlorophenyl)sulfonyl-methylamino]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 26941934) has the molecular formula C17H18Cl2N2O3S and a molecular weight of 401.32 g/mol. Its IUPAC name is 2-[(3,5-dichlorophenyl)sulfonyl-methylamino]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3,5-dichlorophenyl)sulfonyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
PubChem CID26941934
Molecular FormulaC17H18Cl2N2O3S
Molecular Weight401.32 g/mol
Exact Mass400.04
IUPAC Name2-[(3,5-dichlorophenyl)sulfonyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H18Cl2N2O3S/c1-11-5-4-6-12(2)17(11)20-16(22)10-21(3)25(23,24)15-8-13(18)7-14(19)9-15/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyUPPQTCFLXBZWMO-UHFFFAOYSA-N
XLogP3.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.32
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzenesulfonyl(methyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 26941914
N-(2,6-dimethylphenyl)-2-[methyl-(4-phenylphenyl)sulfonylamino]acetamide
CID 55908373
2-[(4-chloro-3-cyanophenyl)sulfonyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 55729086
2-[(3,5-dichlorophenyl)sulfonyl-methylamino]-N-(3-fluorophenyl)acetamide
CID 26942310
2-[benzenesulfonyl(methyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 891784
2-[(5-chloro-2-methylphenyl)sulfonyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 34055922
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 2709829
2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 3880241
N-(3,5-dichlorophenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 45375147
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 4869977
2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 26217769
2-[methyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 30464682

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichlorophenyl)sulfonyl-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[(3,5-dichlorophenyl)sulfonyl-methylamino]-N-(2,6-dimethylphenyl)acetamide (CID 26941934) is 2-[(3,5-dichlorophenyl)sulfonyl-methylamino]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(3,5-dichlorophenyl)sulfonyl-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(3,5-dichlorophenyl)sulfonyl-methylamino]-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CN(C)S(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[(3,5-dichlorophenyl)sulfonyl-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is UPPQTCFLXBZWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3S/c1-11-5-4-6-12(2)17(11)20-16(22)10-21(3)25(23,24)15-8-13(18)7-14(19)9-15/h4-9H,10H2,1-3H3,(H,20,22).
What are the key properties of 2-[(3,5-dichlorophenyl)sulfonyl-methylamino]-N-(2,6-dimethylphenyl)acetamide?
2-[(3,5-dichlorophenyl)sulfonyl-methylamino]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 401.32 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichlorophenyl)sulfonyl-methylamino]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 26941934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).