4-chloro-N-(5-chloro-2-ethylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide

C15H12Cl2F3NO3S2 — CID 57378527

IUPAC4-chloro-N-(5-chloro-2-ethylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCCS(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H12Cl2F3NO3S2/c1-2-25(22)14-6-3-9(16)7-13(14)21-26(23,24)10-4-5-12(17)11(8-10)15(18,19)20/h3-8,21H,2H2,1H3
InChIKeyCLIPKHYUVWDTKN-UHFFFAOYSA-N
MW446.30 g/mol
LogP4.94
Rot. Bonds5

About 4-chloro-N-(5-chloro-2-ethylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-(5-chloro-2-ethylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 57378527) has the molecular formula C15H12Cl2F3NO3S2 and a molecular weight of 446.30 g/mol. Its IUPAC name is 4-chloro-N-(5-chloro-2-ethylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(5-chloro-2-ethylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID57378527
Molecular FormulaC15H12Cl2F3NO3S2
Molecular Weight446.30 g/mol
Exact Mass444.96
IUPAC Name4-chloro-N-(5-chloro-2-ethylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCCS(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H12Cl2F3NO3S2/c1-2-25(22)14-6-3-9(16)7-13(14)21-26(23,24)10-4-5-12(17)11(8-10)15(18,19)20/h3-8,21H,2H2,1H3
InChIKeyCLIPKHYUVWDTKN-UHFFFAOYSA-N
XLogP4.94
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.30
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-chloro-2-ethylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(5-chloro-2-ethylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide (CID 57378527) is 4-chloro-N-(5-chloro-2-ethylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(5-chloro-2-ethylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(5-chloro-2-ethylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide is CCS(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-(5-chloro-2-ethylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is CLIPKHYUVWDTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2F3NO3S2/c1-2-25(22)14-6-3-9(16)7-13(14)21-26(23,24)10-4-5-12(17)11(8-10)15(18,19)20/h3-8,21H,2H2,1H3.
What are the key properties of 4-chloro-N-(5-chloro-2-ethylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-(5-chloro-2-ethylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 446.30 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-chloro-2-ethylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 57378527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).