2-(4-chlorophenyl)sulfonyl-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

C11H11ClF3NO3S — CID 87018495

IUPAC2-(4-chlorophenyl)sulfonyl-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClF3NO3S/c1-16(7-11(13,14)15)10(17)6-20(18,19)9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3
InChIKeyXGWFLXYAYBNKHK-UHFFFAOYSA-N
MW329.73 g/mol
LogP2.13
Rot. Bonds4

About 2-(4-chlorophenyl)sulfonyl-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

2-(4-chlorophenyl)sulfonyl-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 87018495) has the molecular formula C11H11ClF3NO3S and a molecular weight of 329.73 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID87018495
Molecular FormulaC11H11ClF3NO3S
Molecular Weight329.73 g/mol
Exact Mass329.01
IUPAC Name2-(4-chlorophenyl)sulfonyl-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClF3NO3S/c1-16(7-11(13,14)15)10(17)6-20(18,19)9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3
InChIKeyXGWFLXYAYBNKHK-UHFFFAOYSA-N
XLogP2.13
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.73
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 87018495) is 2-(4-chlorophenyl)sulfonyl-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(F)(F)F)C(=O)CS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is XGWFLXYAYBNKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO3S/c1-16(7-11(13,14)15)10(17)6-20(18,19)9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3.
What are the key properties of 2-(4-chlorophenyl)sulfonyl-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-chlorophenyl)sulfonyl-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 329.73 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 87018495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).