N-[2-(2-chlorophenyl)ethyl]-1,1,1-trifluoromethanesulfonamide

C9H9ClF3NO2S — CID 25058523

IUPACN-[2-(2-chlorophenyl)ethyl]-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NCCc1ccccc1Cl)C(F)(F)F
InChIInChI=1S/C9H9ClF3NO2S/c10-8-4-2-1-3-7(8)5-6-14-17(15,16)9(11,12)13/h1-4,14H,5-6H2
InChIKeyFEOMFVCPHKBPCY-UHFFFAOYSA-N
MW287.69 g/mol
LogP2.32
Rot. Bonds4

About N-[2-(2-chlorophenyl)ethyl]-1,1,1-trifluoromethanesulfonamide

N-[2-(2-chlorophenyl)ethyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 25058523) has the molecular formula C9H9ClF3NO2S and a molecular weight of 287.69 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)ethyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)ethyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID25058523
Molecular FormulaC9H9ClF3NO2S
Molecular Weight287.69 g/mol
Exact Mass287.00
IUPAC NameN-[2-(2-chlorophenyl)ethyl]-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NCCc1ccccc1Cl)C(F)(F)F
InChIInChI=1S/C9H9ClF3NO2S/c10-8-4-2-1-3-7(8)5-6-14-17(15,16)9(11,12)13/h1-4,14H,5-6H2
InChIKeyFEOMFVCPHKBPCY-UHFFFAOYSA-N
XLogP2.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.69
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)ethyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[2-(2-chlorophenyl)ethyl]-1,1,1-trifluoromethanesulfonamide (CID 25058523) is N-[2-(2-chlorophenyl)ethyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)ethyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[2-(2-chlorophenyl)ethyl]-1,1,1-trifluoromethanesulfonamide is O=S(=O)(NCCc1ccccc1Cl)C(F)(F)F.
What is the InChIKey of N-[2-(2-chlorophenyl)ethyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is FEOMFVCPHKBPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3NO2S/c10-8-4-2-1-3-7(8)5-6-14-17(15,16)9(11,12)13/h1-4,14H,5-6H2.
What are the key properties of N-[2-(2-chlorophenyl)ethyl]-1,1,1-trifluoromethanesulfonamide?
N-[2-(2-chlorophenyl)ethyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 287.69 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)ethyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 25058523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).