N-(4-acetylphenyl)-2-ethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide

C20H17F3N2O4S — CID 46396262

IUPACN-(4-acetylphenyl)-2-ethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide
SMILESCCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C20H17F3N2O4S/c1-3-13-4-5-15(17-11-19(29-24-17)20(21,22)23)10-18(13)30(27,28)25-16-8-6-14(7-9-16)12(2)26/h4-11,25H,3H2,1-2H3
InChIKeyOZWTWPANIOXWLQ-UHFFFAOYSA-N
MW438.43 g/mol
LogP4.93
Rot. Bonds6

About N-(4-acetylphenyl)-2-ethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide

N-(4-acetylphenyl)-2-ethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide (PubChem CID 46396262) has the molecular formula C20H17F3N2O4S and a molecular weight of 438.43 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-ethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-ethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide
PubChem CID46396262
Molecular FormulaC20H17F3N2O4S
Molecular Weight438.43 g/mol
Exact Mass438.09
IUPAC NameN-(4-acetylphenyl)-2-ethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide
SMILESCCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C20H17F3N2O4S/c1-3-13-4-5-15(17-11-19(29-24-17)20(21,22)23)10-18(13)30(27,28)25-16-8-6-14(7-9-16)12(2)26/h4-11,25H,3H2,1-2H3
InChIKeyOZWTWPANIOXWLQ-UHFFFAOYSA-N
XLogP4.93
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.43
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide
CID 46396323
ethyl 4-[[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-yl]sulfonylamino]benzoate
CID 50788763
3-[4-ethyl-3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-(trifluoromethyl)-1,2-oxazole
CID 46396326
N-(3-chloro-4-methylphenyl)-2-methoxy-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide
CID 46396248
N-(3-acetylphenyl)-2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20936379
2-methyl-N-(2-phenylpropyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide
CID 46396220
2-ethyl-N-(4-ethylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20936343
N-[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-yl]sulfonylacetamide
CID 177254461
N-(4-acetylphenyl)-5-fluorothiophene-2-sulfonamide
CID 91969494
N-ethyl-2-methyl-N-phenyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide
CID 46396177
(3S)-N-ethyl-1-[2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]sulfonylpyrrolidine-3-carboxamide
CID 164636970
N-(4-acetylphenyl)-4-bromo-2-(trifluoromethoxy)benzenesulfonamide
CID 20815752

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-ethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide?
The IUPAC name of N-(4-acetylphenyl)-2-ethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide (CID 46396262) is N-(4-acetylphenyl)-2-ethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-ethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide?
The canonical SMILES for N-(4-acetylphenyl)-2-ethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide is CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-ethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide?
The InChIKey is OZWTWPANIOXWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O4S/c1-3-13-4-5-15(17-11-19(29-24-17)20(21,22)23)10-18(13)30(27,28)25-16-8-6-14(7-9-16)12(2)26/h4-11,25H,3H2,1-2H3.
What are the key properties of N-(4-acetylphenyl)-2-ethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide?
N-(4-acetylphenyl)-2-ethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide has a molecular weight of 438.43 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-ethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 46396262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).