2-[chloromethylsulfonyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C6H10ClF3N2O3S — CID 63666599

IUPAC2-[chloromethylsulfonyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(=O)NCC(F)(F)F)S(=O)(=O)CCl
InChIInChI=1S/C6H10ClF3N2O3S/c1-12(16(14,15)4-7)2-5(13)11-3-6(8,9)10/h2-4H2,1H3,(H,11,13)
InChIKeyFXLNEASJCXWEPZ-UHFFFAOYSA-N
MW282.67 g/mol
LogP0.12
Rot. Bonds5

About 2-[chloromethylsulfonyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[chloromethylsulfonyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 63666599) has the molecular formula C6H10ClF3N2O3S and a molecular weight of 282.67 g/mol. Its IUPAC name is 2-[chloromethylsulfonyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[chloromethylsulfonyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID63666599
Molecular FormulaC6H10ClF3N2O3S
Molecular Weight282.67 g/mol
Exact Mass282.01
IUPAC Name2-[chloromethylsulfonyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(=O)NCC(F)(F)F)S(=O)(=O)CCl
InChIInChI=1S/C6H10ClF3N2O3S/c1-12(16(14,15)4-7)2-5(13)11-3-6(8,9)10/h2-4H2,1H3,(H,11,13)
InChIKeyFXLNEASJCXWEPZ-UHFFFAOYSA-N
XLogP0.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.67
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[chloromethylsulfonyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[chloromethylsulfonyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 63666599) is 2-[chloromethylsulfonyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[chloromethylsulfonyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[chloromethylsulfonyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(=O)NCC(F)(F)F)S(=O)(=O)CCl.
What is the InChIKey of 2-[chloromethylsulfonyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is FXLNEASJCXWEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClF3N2O3S/c1-12(16(14,15)4-7)2-5(13)11-3-6(8,9)10/h2-4H2,1H3,(H,11,13).
What are the key properties of 2-[chloromethylsulfonyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[chloromethylsulfonyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 282.67 g/mol, XLogP of 0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloromethylsulfonyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 63666599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).