N-methyl-N-[4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]benzenesulfonamide

C17H14F3N3O3S — CID 156903066

IUPACN-methyl-N-[4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]benzenesulfonamide
SMILESCN(c1ccc(Cc2noc(C(F)(F)F)n2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H14F3N3O3S/c1-23(27(24,25)14-5-3-2-4-6-14)13-9-7-12(8-10-13)11-15-21-16(26-22-15)17(18,19)20/h2-10H,11H2,1H3
InChIKeyJSZOOMWLWPOIIA-UHFFFAOYSA-N
MW397.38 g/mol
LogP3.50
Rot. Bonds5

About N-methyl-N-[4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]benzenesulfonamide

N-methyl-N-[4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]benzenesulfonamide (PubChem CID 156903066) has the molecular formula C17H14F3N3O3S and a molecular weight of 397.38 g/mol. Its IUPAC name is N-methyl-N-[4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]benzenesulfonamide
PubChem CID156903066
Molecular FormulaC17H14F3N3O3S
Molecular Weight397.38 g/mol
Exact Mass397.07
IUPAC NameN-methyl-N-[4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]benzenesulfonamide
SMILESCN(c1ccc(Cc2noc(C(F)(F)F)n2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H14F3N3O3S/c1-23(27(24,25)14-5-3-2-4-6-14)13-9-7-12(8-10-13)11-15-21-16(26-22-15)17(18,19)20/h2-10H,11H2,1H3
InChIKeyJSZOOMWLWPOIIA-UHFFFAOYSA-N
XLogP3.50
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]benzenesulfonamide?
The IUPAC name of N-methyl-N-[4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]benzenesulfonamide (CID 156903066) is N-methyl-N-[4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-N-[4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-methyl-N-[4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]benzenesulfonamide is CN(c1ccc(Cc2noc(C(F)(F)F)n2)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-methyl-N-[4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]benzenesulfonamide?
The InChIKey is JSZOOMWLWPOIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O3S/c1-23(27(24,25)14-5-3-2-4-6-14)13-9-7-12(8-10-13)11-15-21-16(26-22-15)17(18,19)20/h2-10H,11H2,1H3.
What are the key properties of N-methyl-N-[4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]benzenesulfonamide?
N-methyl-N-[4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]benzenesulfonamide has a molecular weight of 397.38 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 156903066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).