4-(trifluoromethyl)-N-[[3-[[[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide

C22H18F6N2O4S2 — CID 155557092

IUPAC4-(trifluoromethyl)-N-[[3-[[[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cccc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H18F6N2O4S2/c23-21(24,25)17-4-8-19(9-5-17)35(31,32)29-13-15-2-1-3-16(12-15)14-30-36(33,34)20-10-6-18(7-11-20)22(26,27)28/h1-12,29-30H,13-14H2
InChIKeyHWNJHLUAOVPDEN-UHFFFAOYSA-N
MW552.52 g/mol
LogP4.68
Rot. Bonds8

About 4-(trifluoromethyl)-N-[[3-[[[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide

4-(trifluoromethyl)-N-[[3-[[[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide (PubChem CID 155557092) has the molecular formula C22H18F6N2O4S2 and a molecular weight of 552.52 g/mol. Its IUPAC name is 4-(trifluoromethyl)-N-[[3-[[[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(trifluoromethyl)-N-[[3-[[[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide
PubChem CID155557092
Molecular FormulaC22H18F6N2O4S2
Molecular Weight552.52 g/mol
Exact Mass552.06
IUPAC Name4-(trifluoromethyl)-N-[[3-[[[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cccc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H18F6N2O4S2/c23-21(24,25)17-4-8-19(9-5-17)35(31,32)29-13-15-2-1-3-16(12-15)14-30-36(33,34)20-10-6-18(7-11-20)22(26,27)28/h1-12,29-30H,13-14H2
InChIKeyHWNJHLUAOVPDEN-UHFFFAOYSA-N
XLogP4.68
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.52
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(trifluoromethyl)-N-[[3-[[[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl]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-(trifluoromethyl)-N-[[3-[[[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-(trifluoromethyl)-N-[[3-[[[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide (CID 155557092) is 4-(trifluoromethyl)-N-[[3-[[[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-(trifluoromethyl)-N-[[3-[[[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-(trifluoromethyl)-N-[[3-[[[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide is O=S(=O)(NCc1cccc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-(trifluoromethyl)-N-[[3-[[[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide?
The InChIKey is HWNJHLUAOVPDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F6N2O4S2/c23-21(24,25)17-4-8-19(9-5-17)35(31,32)29-13-15-2-1-3-16(12-15)14-30-36(33,34)20-10-6-18(7-11-20)22(26,27)28/h1-12,29-30H,13-14H2.
What are the key properties of 4-(trifluoromethyl)-N-[[3-[[[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide?
4-(trifluoromethyl)-N-[[3-[[[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide has a molecular weight of 552.52 g/mol, XLogP of 4.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-N-[[3-[[[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 155557092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).