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

C12H11F3N2O3S — CID 3861893

IUPAC3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H11F3N2O3S/c1-7-11(8(2)20-16-7)21(18,19)17-10-5-3-4-9(6-10)12(13,14)15/h3-6,17H,1-2H3
InChIKeyYQKGVMFMRDBYOW-UHFFFAOYSA-N
MW320.29 g/mol
LogP3.11
Rot. Bonds3

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

3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-sulfonamide (PubChem CID 3861893) has the molecular formula C12H11F3N2O3S and a molecular weight of 320.29 g/mol. Its IUPAC name is 3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-sulfonamide
PubChem CID3861893
Molecular FormulaC12H11F3N2O3S
Molecular Weight320.29 g/mol
Exact Mass320.04
IUPAC Name3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H11F3N2O3S/c1-7-11(8(2)20-16-7)21(18,19)17-10-5-3-4-9(6-10)12(13,14)15/h3-6,17H,1-2H3
InChIKeyYQKGVMFMRDBYOW-UHFFFAOYSA-N
XLogP3.11
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.29
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Sulfisoxazole
CID 5344
[3-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonylamino]phenyl]boronic acid
CID 46890018
N-benzyl-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 2741492
N-[3-(hydroxymethyl)phenyl]-3,5-dimethyl-4-isoxazolesulfonamide
CID 2813979
N-[(3-chlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 4988738
3,5-dimethyl-N-(2,4,6-trimethylphenyl)-1,2-oxazole-4-sulfonamide
CID 8061730
N-(3,4-Dimethyl-isoxazol-5-yl)-2-trifluoromethyl-benzenesulfonamide
CID 10734431
3,5-dimethyl-N-(4-methylphenyl)-1,2-oxazole-4-sulfonamide
CID 5165886
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-sulfonamide
CID 3241534
5-[(E)-2-(dimethylamino)ethenyl]-N-[(4-fluorophenyl)methyl]-N,3-dimethyl-1,2-oxazole-4-sulfonamide
CID 11559425
trans-N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-N,3,5-trimethylisoxazole-4-sulfonamide
CID 51346970
trans-N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-N-ethyl-3,5-dimethylisoxazole-4-sulfonamide
CID 53321486

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-sulfonamide (CID 3861893) is 3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is YQKGVMFMRDBYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O3S/c1-7-11(8(2)20-16-7)21(18,19)17-10-5-3-4-9(6-10)12(13,14)15/h3-6,17H,1-2H3.
What are the key properties of 3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 320.29 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 3861893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).