2,6-dichloro-N-[2-(2-chlorophenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide

C15H11Cl3F3NO2S — CID 146256295

IUPAC2,6-dichloro-N-[2-(2-chlorophenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1ccccc1Cl)c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H11Cl3F3NO2S/c16-11-4-2-1-3-9(11)5-6-22-25(23,24)14-12(17)7-10(8-13(14)18)15(19,20)21/h1-4,7-8,22H,5-6H2
InChIKeyMWSFSIKKYOILKU-UHFFFAOYSA-N
MW432.68 g/mol
LogP5.19
Rot. Bonds5

About 2,6-dichloro-N-[2-(2-chlorophenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide

2,6-dichloro-N-[2-(2-chlorophenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 146256295) has the molecular formula C15H11Cl3F3NO2S and a molecular weight of 432.68 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-(2-chlorophenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-(2-chlorophenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID146256295
Molecular FormulaC15H11Cl3F3NO2S
Molecular Weight432.68 g/mol
Exact Mass430.95
IUPAC Name2,6-dichloro-N-[2-(2-chlorophenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1ccccc1Cl)c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H11Cl3F3NO2S/c16-11-4-2-1-3-9(11)5-6-22-25(23,24)14-12(17)7-10(8-13(14)18)15(19,20)21/h1-4,7-8,22H,5-6H2
InChIKeyMWSFSIKKYOILKU-UHFFFAOYSA-N
XLogP5.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.68
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-(2-chlorophenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-[2-(2-chlorophenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide (CID 146256295) is 2,6-dichloro-N-[2-(2-chlorophenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-[2-(2-chlorophenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-[2-(2-chlorophenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCCc1ccccc1Cl)c1c(Cl)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2,6-dichloro-N-[2-(2-chlorophenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is MWSFSIKKYOILKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3F3NO2S/c16-11-4-2-1-3-9(11)5-6-22-25(23,24)14-12(17)7-10(8-13(14)18)15(19,20)21/h1-4,7-8,22H,5-6H2.
What are the key properties of 2,6-dichloro-N-[2-(2-chlorophenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide?
2,6-dichloro-N-[2-(2-chlorophenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 432.68 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-(2-chlorophenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 146256295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).