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

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Related Compounds

methyl-oxo-phenyl-[4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]imino-λ6-sulfane
CID 153332435
N,N-dimethyl-2-[S-methyl-N-[4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]sulfonimidoyl]ethanamine
CID 153332599
3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methyl-N-phenylbenzenesulfonamide
CID 60535037
carbon dioxide;N-methyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 159596379
methyl-(2-methylpropyl)-oxo-[4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]imino-λ6-sulfane
CID 153332602
N-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 174717303
methyl-oxo-prop-2-ynyl-[4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]imino-λ6-sulfane
CID 153332470
N-methyl-2-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
CID 67323149
4-[benzenesulfonyl(methyl)amino]benzoic acid
CID 804306
2-[4-[methyl(phenyl)sulfamoyl]phenyl]acetic acid
CID 43440325
N-(4-bromophenyl)-N-methylbenzenesulfonamide
CID 5171346
1-pyridin-3-yl-3-[4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]urea
CID 146461156

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).