2-(trideuteriomethyl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide

C15H15F3N2O2S — CID 175749214

IUPAC2-(trideuteriomethyl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide
SMILES[2H]C([2H])([2H])c1cc(NCc2ccc(C(F)(F)F)cc2)ccc1S(N)(=O)=O
InChIInChI=1S/C15H15F3N2O2S/c1-10-8-13(6-7-14(10)23(19,21)22)20-9-11-2-4-12(5-3-11)15(16,17)18/h2-8,20H,9H2,1H3,(H2,19,21,22)/i1D3
InChIKeyXEPBOUBBEIIKNC-FIBGUPNXSA-N
MW347.38 g/mol
LogP3.27
Rot. Bonds5

About 2-(trideuteriomethyl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide

2-(trideuteriomethyl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide (PubChem CID 175749214) has the molecular formula C15H15F3N2O2S and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-(trideuteriomethyl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-(trideuteriomethyl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide
PubChem CID175749214
Molecular FormulaC15H15F3N2O2S
Molecular Weight347.38 g/mol
Exact Mass347.10
IUPAC Name2-(trideuteriomethyl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide
SMILES[2H]C([2H])([2H])c1cc(NCc2ccc(C(F)(F)F)cc2)ccc1S(N)(=O)=O
InChIInChI=1S/C15H15F3N2O2S/c1-10-8-13(6-7-14(10)23(19,21)22)20-9-11-2-4-12(5-3-11)15(16,17)18/h2-8,20H,9H2,1H3,(H2,19,21,22)/i1D3
InChIKeyXEPBOUBBEIIKNC-FIBGUPNXSA-N
XLogP3.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methoxyphenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide
CID 175749223
2-(1-bromo-2,2,2-trifluoroethyl)-5-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide
CID 164595988
N-[2-methyl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]benzamide
CID 175986266
1-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine
CID 155032671
N-[4-[[4-(trifluoromethyl)anilino]methyl]phenyl]propane-2-sulfonamide
CID 70939828
[2,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamic acid
CID 68707179
2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide
CID 155343072
2-methyl-4-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]benzenesulfonamide
CID 175544581
ethyl N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamate
CID 10269475
N-[(4-tert-butylphenyl)methyl]-3,4-dimethylaniline
CID 28524513
2-bromo-4-[[4-(trifluoromethyl)anilino]methyl]phenol
CID 63046192
2-amino-4-[[4-(hydroxymethyl)phenyl]methylamino]benzenesulfonamide
CID 107231585

Frequently Asked Questions

What is the IUPAC name of 2-(trideuteriomethyl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide?
The IUPAC name of 2-(trideuteriomethyl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide (CID 175749214) is 2-(trideuteriomethyl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide.
What is the SMILES notation for 2-(trideuteriomethyl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide?
The canonical SMILES for 2-(trideuteriomethyl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide is [2H]C([2H])([2H])c1cc(NCc2ccc(C(F)(F)F)cc2)ccc1S(N)(=O)=O.
What is the InChIKey of 2-(trideuteriomethyl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide?
The InChIKey is XEPBOUBBEIIKNC-FIBGUPNXSA-N. The full InChI is InChI=1S/C15H15F3N2O2S/c1-10-8-13(6-7-14(10)23(19,21)22)20-9-11-2-4-12(5-3-11)15(16,17)18/h2-8,20H,9H2,1H3,(H2,19,21,22)/i1D3.
What are the key properties of 2-(trideuteriomethyl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide?
2-(trideuteriomethyl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide has a molecular weight of 347.38 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trideuteriomethyl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide is sourced from PubChem (CID 175749214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).