2-[2-[3,5-dimethoxy-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide

C21H18F3NO4S — CID 23217411

IUPAC2-[2-[3,5-dimethoxy-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide
SMILESCOc1cc(-c2ccccc2-c2ccccc2S(N)(=O)=O)cc(OC)c1C(F)(F)F
InChIInChI=1S/C21H18F3NO4S/c1-28-17-11-13(12-18(29-2)20(17)21(22,23)24)14-7-3-4-8-15(14)16-9-5-6-10-19(16)30(25,26)27/h3-12H,1-2H3,(H2,25,26,27)
InChIKeyAJTWTBDSCIIPDJ-UHFFFAOYSA-N
MW437.44 g/mol
LogP4.70
Rot. Bonds5

About 2-[2-[3,5-dimethoxy-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide

2-[2-[3,5-dimethoxy-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide (PubChem CID 23217411) has the molecular formula C21H18F3NO4S and a molecular weight of 437.44 g/mol. Its IUPAC name is 2-[2-[3,5-dimethoxy-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-[3,5-dimethoxy-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide
PubChem CID23217411
Molecular FormulaC21H18F3NO4S
Molecular Weight437.44 g/mol
Exact Mass437.09
IUPAC Name2-[2-[3,5-dimethoxy-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide
SMILESCOc1cc(-c2ccccc2-c2ccccc2S(N)(=O)=O)cc(OC)c1C(F)(F)F
InChIInChI=1S/C21H18F3NO4S/c1-28-17-11-13(12-18(29-2)20(17)21(22,23)24)14-7-3-4-8-15(14)16-9-5-6-10-19(16)30(25,26)27/h3-12H,1-2H3,(H2,25,26,27)
InChIKeyAJTWTBDSCIIPDJ-UHFFFAOYSA-N
XLogP4.70
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.44
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3,5-dimethoxy-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide?
The IUPAC name of 2-[2-[3,5-dimethoxy-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide (CID 23217411) is 2-[2-[3,5-dimethoxy-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2-[2-[3,5-dimethoxy-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide?
The canonical SMILES for 2-[2-[3,5-dimethoxy-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide is COc1cc(-c2ccccc2-c2ccccc2S(N)(=O)=O)cc(OC)c1C(F)(F)F.
What is the InChIKey of 2-[2-[3,5-dimethoxy-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide?
The InChIKey is AJTWTBDSCIIPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3NO4S/c1-28-17-11-13(12-18(29-2)20(17)21(22,23)24)14-7-3-4-8-15(14)16-9-5-6-10-19(16)30(25,26)27/h3-12H,1-2H3,(H2,25,26,27).
What are the key properties of 2-[2-[3,5-dimethoxy-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide?
2-[2-[3,5-dimethoxy-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide has a molecular weight of 437.44 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3,5-dimethoxy-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 23217411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).