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

C19H17F3N2O3S — CID 46396177

IUPACN-ethyl-2-methyl-N-phenyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(-c2cc(C(F)(F)F)on2)ccc1C
InChIInChI=1S/C19H17F3N2O3S/c1-3-24(15-7-5-4-6-8-15)28(25,26)17-11-14(10-9-13(17)2)16-12-18(27-23-16)19(20,21)22/h4-12H,3H2,1-2H3
InChIKeyFREZJQJVHJKTKA-UHFFFAOYSA-N
MW410.42 g/mol
LogP4.88
Rot. Bonds5

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

N-ethyl-2-methyl-N-phenyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide (PubChem CID 46396177) has the molecular formula C19H17F3N2O3S and a molecular weight of 410.42 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-phenyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-phenyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide
PubChem CID46396177
Molecular FormulaC19H17F3N2O3S
Molecular Weight410.42 g/mol
Exact Mass410.09
IUPAC NameN-ethyl-2-methyl-N-phenyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(-c2cc(C(F)(F)F)on2)ccc1C
InChIInChI=1S/C19H17F3N2O3S/c1-3-24(15-7-5-4-6-8-15)28(25,26)17-11-14(10-9-13(17)2)16-12-18(27-23-16)19(20,21)22/h4-12H,3H2,1-2H3
InChIKeyFREZJQJVHJKTKA-UHFFFAOYSA-N
XLogP4.88
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(2-phenylpropyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide
CID 46396220
N-ethyl-2-methyl-N-(3-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 23611834
(3S)-N-ethyl-1-[2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]sulfonylpyrrolidine-3-carboxamide
CID 164636970
N-ethyl-1,4,7-trimethyl-2,3-dioxo-N-phenylquinoxaline-6-sulfonamide
CID 20914041
methyl-oxo-phenyl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]imino-λ6-sulfane
CID 155459565
3-[4-ethyl-3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-(trifluoromethyl)-1,2-oxazole
CID 46396326
3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-propylbenzamide
CID 18104844
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide
CID 46396323
methyl 3-(N-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylanilino)propanoate
CID 24793684
N-ethyl-2-methoxy-4,5-dimethyl-N-phenylbenzenesulfonamide
CID 66485774
butyl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]carbamic acid
CID 151987572
N-(3-chloro-4-methylphenyl)-2-methoxy-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide
CID 46396248

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-phenyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide?
The IUPAC name of N-ethyl-2-methyl-N-phenyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide (CID 46396177) is N-ethyl-2-methyl-N-phenyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide.
What is the SMILES notation for N-ethyl-2-methyl-N-phenyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide?
The canonical SMILES for N-ethyl-2-methyl-N-phenyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide is CCN(c1ccccc1)S(=O)(=O)c1cc(-c2cc(C(F)(F)F)on2)ccc1C.
What is the InChIKey of N-ethyl-2-methyl-N-phenyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide?
The InChIKey is FREZJQJVHJKTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3S/c1-3-24(15-7-5-4-6-8-15)28(25,26)17-11-14(10-9-13(17)2)16-12-18(27-23-16)19(20,21)22/h4-12H,3H2,1-2H3.
What are the key properties of N-ethyl-2-methyl-N-phenyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide?
N-ethyl-2-methyl-N-phenyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide has a molecular weight of 410.42 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-phenyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 46396177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).