N-(2,6-diethylphenyl)-2-(trifluoromethoxy)benzenesulfonamide

C17H18F3NO3S — CID 112808737

IUPACN-(2,6-diethylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESCCc1cccc(CC)c1NS(=O)(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C17H18F3NO3S/c1-3-12-8-7-9-13(4-2)16(12)21-25(22,23)15-11-6-5-10-14(15)24-17(18,19)20/h5-11,21H,3-4H2,1-2H3
InChIKeyALGZRJKEZAVBPE-UHFFFAOYSA-N
MW373.40 g/mol
LogP4.51
Rot. Bonds6

About N-(2,6-diethylphenyl)-2-(trifluoromethoxy)benzenesulfonamide

N-(2,6-diethylphenyl)-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 112808737) has the molecular formula C17H18F3NO3S and a molecular weight of 373.40 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID112808737
Molecular FormulaC17H18F3NO3S
Molecular Weight373.40 g/mol
Exact Mass373.10
IUPAC NameN-(2,6-diethylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESCCc1cccc(CC)c1NS(=O)(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C17H18F3NO3S/c1-3-12-8-7-9-13(4-2)16(12)21-25(22,23)15-11-6-5-10-14(15)24-17(18,19)20/h5-11,21H,3-4H2,1-2H3
InChIKeyALGZRJKEZAVBPE-UHFFFAOYSA-N
XLogP4.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 31071215
N-(3-ethoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 60534149
N-(2-propoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 31069220
N-methoxy-2-(trifluoromethoxy)benzenesulfonamide
CID 60713586
N-[(2-fluorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 31068795
N-(2-hydroxyethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 43502048
ethane;1-ethyl-2-(trifluoromethoxy)benzene
CID 177219375
N-(2-methylpropyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 31065703
2,2-dimethyl-N-[4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide
CID 35185568
N-[3-(methylamino)propyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 43605972
4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoic acid
CID 18274848
N-(4-fluoro-2-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 18148145

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-(trifluoromethoxy)benzenesulfonamide (CID 112808737) is N-(2,6-diethylphenyl)-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-(trifluoromethoxy)benzenesulfonamide is CCc1cccc(CC)c1NS(=O)(=O)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-(2,6-diethylphenyl)-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is ALGZRJKEZAVBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO3S/c1-3-12-8-7-9-13(4-2)16(12)21-25(22,23)15-11-6-5-10-14(15)24-17(18,19)20/h5-11,21H,3-4H2,1-2H3.
What are the key properties of N-(2,6-diethylphenyl)-2-(trifluoromethoxy)benzenesulfonamide?
N-(2,6-diethylphenyl)-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 373.40 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 112808737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).