2-[[2-chloro-4-(1,2,2-trifluoroethyl)phenyl]methylsulfonyl-methylamino]acetamide

C12H14ClF3N2O3S — CID 15118139

IUPAC2-[[2-chloro-4-(1,2,2-trifluoroethyl)phenyl]methylsulfonyl-methylamino]acetamide
SMILESCN(CC(N)=O)S(=O)(=O)Cc1ccc(C(F)C(F)F)cc1Cl
InChIInChI=1S/C12H14ClF3N2O3S/c1-18(5-10(17)19)22(20,21)6-8-3-2-7(4-9(8)13)11(14)12(15)16/h2-4,11-12H,5-6H2,1H3,(H2,17,19)
InChIKeyXRUUQUOWCGXQJG-UHFFFAOYSA-N
MW358.77 g/mol
LogP1.86
Rot. Bonds7

About 2-[[2-chloro-4-(1,2,2-trifluoroethyl)phenyl]methylsulfonyl-methylamino]acetamide

2-[[2-chloro-4-(1,2,2-trifluoroethyl)phenyl]methylsulfonyl-methylamino]acetamide (PubChem CID 15118139) has the molecular formula C12H14ClF3N2O3S and a molecular weight of 358.77 g/mol. Its IUPAC name is 2-[[2-chloro-4-(1,2,2-trifluoroethyl)phenyl]methylsulfonyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[[2-chloro-4-(1,2,2-trifluoroethyl)phenyl]methylsulfonyl-methylamino]acetamide
PubChem CID15118139
Molecular FormulaC12H14ClF3N2O3S
Molecular Weight358.77 g/mol
Exact Mass358.04
IUPAC Name2-[[2-chloro-4-(1,2,2-trifluoroethyl)phenyl]methylsulfonyl-methylamino]acetamide
SMILESCN(CC(N)=O)S(=O)(=O)Cc1ccc(C(F)C(F)F)cc1Cl
InChIInChI=1S/C12H14ClF3N2O3S/c1-18(5-10(17)19)22(20,21)6-8-3-2-7(4-9(8)13)11(14)12(15)16/h2-4,11-12H,5-6H2,1H3,(H2,17,19)
InChIKeyXRUUQUOWCGXQJG-UHFFFAOYSA-N
XLogP1.86
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.77
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-4-(1,2,2-trifluoroethyl)phenyl]methylsulfonyl-methylamino]acetamide?
The IUPAC name of 2-[[2-chloro-4-(1,2,2-trifluoroethyl)phenyl]methylsulfonyl-methylamino]acetamide (CID 15118139) is 2-[[2-chloro-4-(1,2,2-trifluoroethyl)phenyl]methylsulfonyl-methylamino]acetamide.
What is the SMILES notation for 2-[[2-chloro-4-(1,2,2-trifluoroethyl)phenyl]methylsulfonyl-methylamino]acetamide?
The canonical SMILES for 2-[[2-chloro-4-(1,2,2-trifluoroethyl)phenyl]methylsulfonyl-methylamino]acetamide is CN(CC(N)=O)S(=O)(=O)Cc1ccc(C(F)C(F)F)cc1Cl.
What is the InChIKey of 2-[[2-chloro-4-(1,2,2-trifluoroethyl)phenyl]methylsulfonyl-methylamino]acetamide?
The InChIKey is XRUUQUOWCGXQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O3S/c1-18(5-10(17)19)22(20,21)6-8-3-2-7(4-9(8)13)11(14)12(15)16/h2-4,11-12H,5-6H2,1H3,(H2,17,19).
What are the key properties of 2-[[2-chloro-4-(1,2,2-trifluoroethyl)phenyl]methylsulfonyl-methylamino]acetamide?
2-[[2-chloro-4-(1,2,2-trifluoroethyl)phenyl]methylsulfonyl-methylamino]acetamide has a molecular weight of 358.77 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-4-(1,2,2-trifluoroethyl)phenyl]methylsulfonyl-methylamino]acetamide is sourced from PubChem (CID 15118139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).