N,N-dibenzyl-2-(trifluoromethoxy)benzenesulfonamide

C21H18F3NO3S — CID 162650250

IUPACN,N-dibenzyl-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1OC(F)(F)F)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H18F3NO3S/c22-21(23,24)28-19-13-7-8-14-20(19)29(26,27)25(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-14H,15-16H2
InChIKeyBDVGSJGORGJCEU-UHFFFAOYSA-N
MW421.44 g/mol
LogP4.98
Rot. Bonds7

About N,N-dibenzyl-2-(trifluoromethoxy)benzenesulfonamide

N,N-dibenzyl-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 162650250) has the molecular formula C21H18F3NO3S and a molecular weight of 421.44 g/mol. Its IUPAC name is N,N-dibenzyl-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID162650250
Molecular FormulaC21H18F3NO3S
Molecular Weight421.44 g/mol
Exact Mass421.10
IUPAC NameN,N-dibenzyl-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1OC(F)(F)F)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H18F3NO3S/c22-21(23,24)28-19-13-7-8-14-20(19)29(26,27)25(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-14H,15-16H2
InChIKeyBDVGSJGORGJCEU-UHFFFAOYSA-N
XLogP4.98
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.44
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N,N-dibenzyl-2-(trifluoromethoxy)benzenesulfonamide (CID 162650250) is N,N-dibenzyl-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N,N-dibenzyl-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N,N-dibenzyl-2-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(c1ccccc1OC(F)(F)F)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is BDVGSJGORGJCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3NO3S/c22-21(23,24)28-19-13-7-8-14-20(19)29(26,27)25(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-14H,15-16H2.
What are the key properties of N,N-dibenzyl-2-(trifluoromethoxy)benzenesulfonamide?
N,N-dibenzyl-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 421.44 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 162650250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).