2-[[2-chloro-4-(trifluoromethyl)phenyl]methylsulfonyl-methylamino]acetamide

C11H12ClF3N2O3S — CID 15118137

IUPAC2-[[2-chloro-4-(trifluoromethyl)phenyl]methylsulfonyl-methylamino]acetamide
SMILESCN(CC(N)=O)S(=O)(=O)Cc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H12ClF3N2O3S/c1-17(5-10(16)18)21(19,20)6-7-2-3-8(4-9(7)12)11(13,14)15/h2-4H,5-6H2,1H3,(H2,16,18)
InChIKeyIYGGKIKVLCOHMC-UHFFFAOYSA-N
MW344.74 g/mol
LogP1.61
Rot. Bonds5

About 2-[[2-chloro-4-(trifluoromethyl)phenyl]methylsulfonyl-methylamino]acetamide

2-[[2-chloro-4-(trifluoromethyl)phenyl]methylsulfonyl-methylamino]acetamide (PubChem CID 15118137) has the molecular formula C11H12ClF3N2O3S and a molecular weight of 344.74 g/mol. Its IUPAC name is 2-[[2-chloro-4-(trifluoromethyl)phenyl]methylsulfonyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[[2-chloro-4-(trifluoromethyl)phenyl]methylsulfonyl-methylamino]acetamide
PubChem CID15118137
Molecular FormulaC11H12ClF3N2O3S
Molecular Weight344.74 g/mol
Exact Mass344.02
IUPAC Name2-[[2-chloro-4-(trifluoromethyl)phenyl]methylsulfonyl-methylamino]acetamide
SMILESCN(CC(N)=O)S(=O)(=O)Cc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H12ClF3N2O3S/c1-17(5-10(16)18)21(19,20)6-7-2-3-8(4-9(7)12)11(13,14)15/h2-4H,5-6H2,1H3,(H2,16,18)
InChIKeyIYGGKIKVLCOHMC-UHFFFAOYSA-N
XLogP1.61
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.74
LogP ≤ 51.61
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-(trifluoromethyl)phenyl]methylsulfonyl-methylamino]acetamide?
The IUPAC name of 2-[[2-chloro-4-(trifluoromethyl)phenyl]methylsulfonyl-methylamino]acetamide (CID 15118137) is 2-[[2-chloro-4-(trifluoromethyl)phenyl]methylsulfonyl-methylamino]acetamide.
What is the SMILES notation for 2-[[2-chloro-4-(trifluoromethyl)phenyl]methylsulfonyl-methylamino]acetamide?
The canonical SMILES for 2-[[2-chloro-4-(trifluoromethyl)phenyl]methylsulfonyl-methylamino]acetamide is CN(CC(N)=O)S(=O)(=O)Cc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[[2-chloro-4-(trifluoromethyl)phenyl]methylsulfonyl-methylamino]acetamide?
The InChIKey is IYGGKIKVLCOHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2O3S/c1-17(5-10(16)18)21(19,20)6-7-2-3-8(4-9(7)12)11(13,14)15/h2-4H,5-6H2,1H3,(H2,16,18).
What are the key properties of 2-[[2-chloro-4-(trifluoromethyl)phenyl]methylsulfonyl-methylamino]acetamide?
2-[[2-chloro-4-(trifluoromethyl)phenyl]methylsulfonyl-methylamino]acetamide has a molecular weight of 344.74 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-4-(trifluoromethyl)phenyl]methylsulfonyl-methylamino]acetamide is sourced from PubChem (CID 15118137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).