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

C23H24F3N3O2S — CID 23451073

IUPAC4-[2-[3,5-bis(dimethylamino)-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide
SMILESCN(C)c1cc(-c2ccccc2-c2ccc(S(N)(=O)=O)cc2)cc(N(C)C)c1C(F)(F)F
InChIInChI=1S/C23H24F3N3O2S/c1-28(2)20-13-16(14-21(29(3)4)22(20)23(24,25)26)19-8-6-5-7-18(19)15-9-11-17(12-10-15)32(27,30)31/h5-14H,1-4H3,(H2,27,30,31)
InChIKeyKOPYMFHNZXQUSQ-UHFFFAOYSA-N
MW463.53 g/mol
LogP4.82
Rot. Bonds5

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

4-[2-[3,5-bis(dimethylamino)-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide (PubChem CID 23451073) has the molecular formula C23H24F3N3O2S and a molecular weight of 463.53 g/mol. Its IUPAC name is 4-[2-[3,5-bis(dimethylamino)-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[3,5-bis(dimethylamino)-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide
PubChem CID23451073
Molecular FormulaC23H24F3N3O2S
Molecular Weight463.53 g/mol
Exact Mass463.15
IUPAC Name4-[2-[3,5-bis(dimethylamino)-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide
SMILESCN(C)c1cc(-c2ccccc2-c2ccc(S(N)(=O)=O)cc2)cc(N(C)C)c1C(F)(F)F
InChIInChI=1S/C23H24F3N3O2S/c1-28(2)20-13-16(14-21(29(3)4)22(20)23(24,25)26)19-8-6-5-7-18(19)15-9-11-17(12-10-15)32(27,30)31/h5-14H,1-4H3,(H2,27,30,31)
InChIKeyKOPYMFHNZXQUSQ-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

Analyze 4-[2-[3,5-bis(dimethylamino)-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3,5-bis(dimethylamino)-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-[2-[3,5-bis(dimethylamino)-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide (CID 23451073) is 4-[2-[3,5-bis(dimethylamino)-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[3,5-bis(dimethylamino)-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[3,5-bis(dimethylamino)-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide is CN(C)c1cc(-c2ccccc2-c2ccc(S(N)(=O)=O)cc2)cc(N(C)C)c1C(F)(F)F.
What is the InChIKey of 4-[2-[3,5-bis(dimethylamino)-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide?
The InChIKey is KOPYMFHNZXQUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O2S/c1-28(2)20-13-16(14-21(29(3)4)22(20)23(24,25)26)19-8-6-5-7-18(19)15-9-11-17(12-10-15)32(27,30)31/h5-14H,1-4H3,(H2,27,30,31).
What are the key properties of 4-[2-[3,5-bis(dimethylamino)-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide?
4-[2-[3,5-bis(dimethylamino)-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide 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 4-[2-[3,5-bis(dimethylamino)-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 23451073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).