2-[[2-chloro-6-(trifluoromethyl)phenyl]methylsulfonyl-ethylamino]acetamide

C12H14ClF3N2O3S — CID 15118186

IUPAC2-[[2-chloro-6-(trifluoromethyl)phenyl]methylsulfonyl-ethylamino]acetamide
SMILESCCN(CC(N)=O)S(=O)(=O)Cc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C12H14ClF3N2O3S/c1-2-18(6-11(17)19)22(20,21)7-8-9(12(14,15)16)4-3-5-10(8)13/h3-5H,2,6-7H2,1H3,(H2,17,19)
InChIKeyCXADDGLBNCSFAI-UHFFFAOYSA-N
MW358.77 g/mol
LogP2.00
Rot. Bonds6

About 2-[[2-chloro-6-(trifluoromethyl)phenyl]methylsulfonyl-ethylamino]acetamide

2-[[2-chloro-6-(trifluoromethyl)phenyl]methylsulfonyl-ethylamino]acetamide (PubChem CID 15118186) has the molecular formula C12H14ClF3N2O3S and a molecular weight of 358.77 g/mol. Its IUPAC name is 2-[[2-chloro-6-(trifluoromethyl)phenyl]methylsulfonyl-ethylamino]acetamide.

Molecular Properties

Compound Name2-[[2-chloro-6-(trifluoromethyl)phenyl]methylsulfonyl-ethylamino]acetamide
PubChem CID15118186
Molecular FormulaC12H14ClF3N2O3S
Molecular Weight358.77 g/mol
Exact Mass358.04
IUPAC Name2-[[2-chloro-6-(trifluoromethyl)phenyl]methylsulfonyl-ethylamino]acetamide
SMILESCCN(CC(N)=O)S(=O)(=O)Cc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C12H14ClF3N2O3S/c1-2-18(6-11(17)19)22(20,21)7-8-9(12(14,15)16)4-3-5-10(8)13/h3-5H,2,6-7H2,1H3,(H2,17,19)
InChIKeyCXADDGLBNCSFAI-UHFFFAOYSA-N
XLogP2.00
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.77
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-6-(trifluoromethyl)phenyl]methylsulfonyl-ethylamino]acetamide?
The IUPAC name of 2-[[2-chloro-6-(trifluoromethyl)phenyl]methylsulfonyl-ethylamino]acetamide (CID 15118186) is 2-[[2-chloro-6-(trifluoromethyl)phenyl]methylsulfonyl-ethylamino]acetamide.
What is the SMILES notation for 2-[[2-chloro-6-(trifluoromethyl)phenyl]methylsulfonyl-ethylamino]acetamide?
The canonical SMILES for 2-[[2-chloro-6-(trifluoromethyl)phenyl]methylsulfonyl-ethylamino]acetamide is CCN(CC(N)=O)S(=O)(=O)Cc1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of 2-[[2-chloro-6-(trifluoromethyl)phenyl]methylsulfonyl-ethylamino]acetamide?
The InChIKey is CXADDGLBNCSFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O3S/c1-2-18(6-11(17)19)22(20,21)7-8-9(12(14,15)16)4-3-5-10(8)13/h3-5H,2,6-7H2,1H3,(H2,17,19).
What are the key properties of 2-[[2-chloro-6-(trifluoromethyl)phenyl]methylsulfonyl-ethylamino]acetamide?
2-[[2-chloro-6-(trifluoromethyl)phenyl]methylsulfonyl-ethylamino]acetamide has a molecular weight of 358.77 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-6-(trifluoromethyl)phenyl]methylsulfonyl-ethylamino]acetamide is sourced from PubChem (CID 15118186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).