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

C15H12Cl2F3NO2S2 — CID 57378525

IUPAC4-chloro-N-(5-chloro-2-ethylsulfanylphenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCCSc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H12Cl2F3NO2S2/c1-2-24-14-6-3-9(16)7-13(14)21-25(22,23)10-4-5-12(17)11(8-10)15(18,19)20/h3-8,21H,2H2,1H3
InChIKeyXHQCXABVZIJCTK-UHFFFAOYSA-N
MW430.30 g/mol
LogP5.93
Rot. Bonds5

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

4-chloro-N-(5-chloro-2-ethylsulfanylphenyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 57378525) has the molecular formula C15H12Cl2F3NO2S2 and a molecular weight of 430.30 g/mol. Its IUPAC name is 4-chloro-N-(5-chloro-2-ethylsulfanylphenyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(5-chloro-2-ethylsulfanylphenyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID57378525
Molecular FormulaC15H12Cl2F3NO2S2
Molecular Weight430.30 g/mol
Exact Mass428.96
IUPAC Name4-chloro-N-(5-chloro-2-ethylsulfanylphenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCCSc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H12Cl2F3NO2S2/c1-2-24-14-6-3-9(16)7-13(14)21-25(22,23)10-4-5-12(17)11(8-10)15(18,19)20/h3-8,21H,2H2,1H3
InChIKeyXHQCXABVZIJCTK-UHFFFAOYSA-N
XLogP5.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.30
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(3-chloro-4-methylphenyl)benzenesulfonamide
CID 295196
2-[2-(2-Chlorophenyl)ethenesulfonamido]benzene-1-sulfonamide
CID 42646765
US9663460, Example 62
CID 57377341
US9663460, Example 63
CID 57377342
US9663460, Example 1
CID 57378320
US9663460, Example 2
CID 57378321
4-chloro-N-[5-chloro-2-(methylthio)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 57378322
4-chloro-N-[5-chloro-2-(isopropylthio)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 57378323
US9663460, Example 15
CID 57378423
US9663460, Example 18
CID 57378424
US9663460, Example 17
CID 57378425
4-chloro-N-{5-chloro-2-[(3-hydroxycyclopentyl)sulfinyl]phenyl}-3-(trifluoromethyl)benzenesulfonamide
CID 57378524

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-chloro-2-ethylsulfanylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(5-chloro-2-ethylsulfanylphenyl)-3-(trifluoromethyl)benzenesulfonamide (CID 57378525) is 4-chloro-N-(5-chloro-2-ethylsulfanylphenyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(5-chloro-2-ethylsulfanylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(5-chloro-2-ethylsulfanylphenyl)-3-(trifluoromethyl)benzenesulfonamide is CCSc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-(5-chloro-2-ethylsulfanylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is XHQCXABVZIJCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2F3NO2S2/c1-2-24-14-6-3-9(16)7-13(14)21-25(22,23)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-ethylsulfanylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-(5-chloro-2-ethylsulfanylphenyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 430.30 g/mol, XLogP of 5.93, 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-ethylsulfanylphenyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 57378525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).