3-[3,5-bis(dimethylamino)-4-(trifluoromethyl)phenyl]-2-phenylbenzenesulfonamide

C23H24F3N3O2S — CID 67654182

IUPAC3-[3,5-bis(dimethylamino)-4-(trifluoromethyl)phenyl]-2-phenylbenzenesulfonamide
SMILESCN(C)c1cc(-c2cccc(S(N)(=O)=O)c2-c2ccccc2)cc(N(C)C)c1C(F)(F)F
InChIInChI=1S/C23H24F3N3O2S/c1-28(2)18-13-16(14-19(29(3)4)22(18)23(24,25)26)17-11-8-12-20(32(27,30)31)21(17)15-9-6-5-7-10-15/h5-14H,1-4H3,(H2,27,30,31)
InChIKeyOVAIVJBMQGJDOT-UHFFFAOYSA-N
MW463.53 g/mol
LogP4.82
Rot. Bonds5

About 3-[3,5-bis(dimethylamino)-4-(trifluoromethyl)phenyl]-2-phenylbenzenesulfonamide

3-[3,5-bis(dimethylamino)-4-(trifluoromethyl)phenyl]-2-phenylbenzenesulfonamide (PubChem CID 67654182) has the molecular formula C23H24F3N3O2S and a molecular weight of 463.53 g/mol. Its IUPAC name is 3-[3,5-bis(dimethylamino)-4-(trifluoromethyl)phenyl]-2-phenylbenzenesulfonamide.

Molecular Properties

Compound Name3-[3,5-bis(dimethylamino)-4-(trifluoromethyl)phenyl]-2-phenylbenzenesulfonamide
PubChem CID67654182
Molecular FormulaC23H24F3N3O2S
Molecular Weight463.53 g/mol
Exact Mass463.15
IUPAC Name3-[3,5-bis(dimethylamino)-4-(trifluoromethyl)phenyl]-2-phenylbenzenesulfonamide
SMILESCN(C)c1cc(-c2cccc(S(N)(=O)=O)c2-c2ccccc2)cc(N(C)C)c1C(F)(F)F
InChIInChI=1S/C23H24F3N3O2S/c1-28(2)18-13-16(14-19(29(3)4)22(18)23(24,25)26)17-11-8-12-20(32(27,30)31)21(17)15-9-6-5-7-10-15/h5-14H,1-4H3,(H2,27,30,31)
InChIKeyOVAIVJBMQGJDOT-UHFFFAOYSA-N
XLogP4.82
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis(dimethylamino)-4-(trifluoromethyl)phenyl]-2-phenylbenzenesulfonamide?
The IUPAC name of 3-[3,5-bis(dimethylamino)-4-(trifluoromethyl)phenyl]-2-phenylbenzenesulfonamide (CID 67654182) is 3-[3,5-bis(dimethylamino)-4-(trifluoromethyl)phenyl]-2-phenylbenzenesulfonamide.
What is the SMILES notation for 3-[3,5-bis(dimethylamino)-4-(trifluoromethyl)phenyl]-2-phenylbenzenesulfonamide?
The canonical SMILES for 3-[3,5-bis(dimethylamino)-4-(trifluoromethyl)phenyl]-2-phenylbenzenesulfonamide is CN(C)c1cc(-c2cccc(S(N)(=O)=O)c2-c2ccccc2)cc(N(C)C)c1C(F)(F)F.
What is the InChIKey of 3-[3,5-bis(dimethylamino)-4-(trifluoromethyl)phenyl]-2-phenylbenzenesulfonamide?
The InChIKey is OVAIVJBMQGJDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O2S/c1-28(2)18-13-16(14-19(29(3)4)22(18)23(24,25)26)17-11-8-12-20(32(27,30)31)21(17)15-9-6-5-7-10-15/h5-14H,1-4H3,(H2,27,30,31).
What are the key properties of 3-[3,5-bis(dimethylamino)-4-(trifluoromethyl)phenyl]-2-phenylbenzenesulfonamide?
3-[3,5-bis(dimethylamino)-4-(trifluoromethyl)phenyl]-2-phenylbenzenesulfonamide has a molecular weight of 463.53 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis(dimethylamino)-4-(trifluoromethyl)phenyl]-2-phenylbenzenesulfonamide is sourced from PubChem (CID 67654182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).