N-[[2-(2-hydroxypropoxy)phenyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide

C17H18F3NO5S — CID 164862161

IUPACN-[[2-(2-hydroxypropoxy)phenyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCC(O)COc1ccccc1CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H18F3NO5S/c1-12(22)11-25-16-5-3-2-4-13(16)10-21-27(23,24)15-8-6-14(7-9-15)26-17(18,19)20/h2-9,12,21-22H,10-11H2,1H3
InChIKeyXZOGEUADLDQFLS-UHFFFAOYSA-N
MW405.39 g/mol
LogP2.82
Rot. Bonds8

About N-[[2-(2-hydroxypropoxy)phenyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[[2-(2-hydroxypropoxy)phenyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 164862161) has the molecular formula C17H18F3NO5S and a molecular weight of 405.39 g/mol. Its IUPAC name is N-[[2-(2-hydroxypropoxy)phenyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[[2-(2-hydroxypropoxy)phenyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID164862161
Molecular FormulaC17H18F3NO5S
Molecular Weight405.39 g/mol
Exact Mass405.09
IUPAC NameN-[[2-(2-hydroxypropoxy)phenyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCC(O)COc1ccccc1CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H18F3NO5S/c1-12(22)11-25-16-5-3-2-4-13(16)10-21-27(23,24)15-8-6-14(7-9-15)26-17(18,19)20/h2-9,12,21-22H,10-11H2,1H3
InChIKeyXZOGEUADLDQFLS-UHFFFAOYSA-N
XLogP2.82
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.39
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[2-(2-hydroxypropoxy)phenyl]methyl]-4-(trifluoromethoxy)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

4-ethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 3869376
4-[[2-(trifluoromethoxy)phenyl]methylsulfamoyl]benzamide
CID 46657919
4-N,4-N-diethyl-1-N-[[2-(trifluoromethoxy)phenyl]methyl]benzene-1,4-disulfonamide
CID 24556290
4-methoxy-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide
CID 110445902
4-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide
CID 110446090
N-[(2,5-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 31827643
N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 9301745
[4-[(2-methoxyphenyl)methylsulfamoyl]phenyl] acetate
CID 57422344
N-[1-(2-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 4828145
N-[[2-(difluoromethoxy)phenyl]methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 3551979
N-[4-(2-methylphenoxy)but-2-ynyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90575449
3-bromo-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 3859291

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-hydroxypropoxy)phenyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[[2-(2-hydroxypropoxy)phenyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 164862161) is N-[[2-(2-hydroxypropoxy)phenyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[[2-(2-hydroxypropoxy)phenyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[[2-(2-hydroxypropoxy)phenyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide is CC(O)COc1ccccc1CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[[2-(2-hydroxypropoxy)phenyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is XZOGEUADLDQFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO5S/c1-12(22)11-25-16-5-3-2-4-13(16)10-21-27(23,24)15-8-6-14(7-9-15)26-17(18,19)20/h2-9,12,21-22H,10-11H2,1H3.
What are the key properties of N-[[2-(2-hydroxypropoxy)phenyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[[2-(2-hydroxypropoxy)phenyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 405.39 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-hydroxypropoxy)phenyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 164862161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).