3,5-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2-oxazole-4-sulfonamide

C13H13F3N2O4S — CID 24556296

IUPAC3,5-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C13H13F3N2O4S/c1-8-12(9(2)22-18-8)23(19,20)17-7-10-5-3-4-6-11(10)21-13(14,15)16/h3-6,17H,7H2,1-2H3
InChIKeyISUWSMMWPCIMEO-UHFFFAOYSA-N
MW350.32 g/mol
LogP2.67
Rot. Bonds5

About 3,5-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2-oxazole-4-sulfonamide (PubChem CID 24556296) has the molecular formula C13H13F3N2O4S and a molecular weight of 350.32 g/mol. Its IUPAC name is 3,5-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2-oxazole-4-sulfonamide
PubChem CID24556296
Molecular FormulaC13H13F3N2O4S
Molecular Weight350.32 g/mol
Exact Mass350.05
IUPAC Name3,5-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C13H13F3N2O4S/c1-8-12(9(2)22-18-8)23(19,20)17-7-10-5-3-4-6-11(10)21-13(14,15)16/h3-6,17H,7H2,1-2H3
InChIKeyISUWSMMWPCIMEO-UHFFFAOYSA-N
XLogP2.67
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3238779
3,5-dimethyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-1,2-oxazole-4-sulfonamide
CID 110730460
N-[(2-ethoxy-3-pyridinyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 35389987
3,5-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1,2-oxazole-4-sulfonamide
CID 51089443
N-[(2-methoxy-5-methylphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 35606688
4-ethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 3869376
3,5-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1,2-oxazole-4-sulfonamide
CID 95376531
3,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-sulfonamide
CID 3863030
N-[[4-(2-methoxyphenyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 53322135
N-[3-(2-fluorophenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 39666367
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 90598090
1-(1,2-benzoxazol-3-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanesulfonamide
CID 90624581

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2-oxazole-4-sulfonamide (CID 24556296) is 3,5-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCc1ccccc1OC(F)(F)F.
What is the InChIKey of 3,5-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is ISUWSMMWPCIMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O4S/c1-8-12(9(2)22-18-8)23(19,20)17-7-10-5-3-4-6-11(10)21-13(14,15)16/h3-6,17H,7H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 350.32 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 24556296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).