3-methylsulfonyl-4-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]benzenesulfonamide

C16H17F3N2O5S2 — CID 56578932

IUPAC3-methylsulfonyl-4-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]benzenesulfonamide
SMILESCN(Cc1ccccc1OC(F)(F)F)c1ccc(S(N)(=O)=O)cc1S(C)(=O)=O
InChIInChI=1S/C16H17F3N2O5S2/c1-21(10-11-5-3-4-6-14(11)26-16(17,18)19)13-8-7-12(28(20,24)25)9-15(13)27(2,22)23/h3-9H,10H2,1-2H3,(H2,20,24,25)
InChIKeyQOKKTYOESRHMQY-UHFFFAOYSA-N
MW438.45 g/mol
LogP2.27
Rot. Bonds6

About 3-methylsulfonyl-4-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]benzenesulfonamide

3-methylsulfonyl-4-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]benzenesulfonamide (PubChem CID 56578932) has the molecular formula C16H17F3N2O5S2 and a molecular weight of 438.45 g/mol. Its IUPAC name is 3-methylsulfonyl-4-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]benzenesulfonamide.

Molecular Properties

Compound Name3-methylsulfonyl-4-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]benzenesulfonamide
PubChem CID56578932
Molecular FormulaC16H17F3N2O5S2
Molecular Weight438.45 g/mol
Exact Mass438.05
IUPAC Name3-methylsulfonyl-4-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]benzenesulfonamide
SMILESCN(Cc1ccccc1OC(F)(F)F)c1ccc(S(N)(=O)=O)cc1S(C)(=O)=O
InChIInChI=1S/C16H17F3N2O5S2/c1-21(10-11-5-3-4-6-14(11)26-16(17,18)19)13-8-7-12(28(20,24)25)9-15(13)27(2,22)23/h3-9H,10H2,1-2H3,(H2,20,24,25)
InChIKeyQOKKTYOESRHMQY-UHFFFAOYSA-N
XLogP2.27
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methylsulfonyl-4-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

3-ethyl-4-(trifluoromethoxy)benzenesulfonamide
CID 170999141
3-chloro-4-methoxy-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 55681731
4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-methylsulfonylbenzenesulfonamide
CID 56563992
4-[2-(4-chlorophenoxy)ethyl-methylamino]-3-methylsulfonylbenzenesulfonamide
CID 56578391
4-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-methylsulfonylbenzenesulfonamide
CID 56564058
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 119278536
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119278535
3-(dimethylsulfamoyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 38072733
3-methyl-6-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-1H-pyrimidine-2,4-dione
CID 146142608
1-[3-[(2-methoxyphenyl)methyl-methylamino]-4-methylsulfonylphenyl]ethanone
CID 133462978
3-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119278533
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 119278540

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-4-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]benzenesulfonamide?
The IUPAC name of 3-methylsulfonyl-4-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]benzenesulfonamide (CID 56578932) is 3-methylsulfonyl-4-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]benzenesulfonamide.
What is the SMILES notation for 3-methylsulfonyl-4-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]benzenesulfonamide?
The canonical SMILES for 3-methylsulfonyl-4-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]benzenesulfonamide is CN(Cc1ccccc1OC(F)(F)F)c1ccc(S(N)(=O)=O)cc1S(C)(=O)=O.
What is the InChIKey of 3-methylsulfonyl-4-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]benzenesulfonamide?
The InChIKey is QOKKTYOESRHMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O5S2/c1-21(10-11-5-3-4-6-14(11)26-16(17,18)19)13-8-7-12(28(20,24)25)9-15(13)27(2,22)23/h3-9H,10H2,1-2H3,(H2,20,24,25).
What are the key properties of 3-methylsulfonyl-4-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]benzenesulfonamide?
3-methylsulfonyl-4-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]benzenesulfonamide has a molecular weight of 438.45 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-4-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]benzenesulfonamide is sourced from PubChem (CID 56578932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).