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

C16H13F3N2O3S2 — CID 2740279

IUPAC3,5-dimethyl-N-[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1csc(C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C16H13F3N2O3S2/c1-9-14(10(2)24-20-9)26(22,23)21-12-8-25-15(16(17,18)19)13(12)11-6-4-3-5-7-11/h3-8,21H,1-2H3
InChIKeyQDFJKOPMNDKPKS-UHFFFAOYSA-N
MW402.42 g/mol
LogP4.84
Rot. Bonds4

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

3,5-dimethyl-N-[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]-1,2-oxazole-4-sulfonamide (PubChem CID 2740279) has the molecular formula C16H13F3N2O3S2 and a molecular weight of 402.42 g/mol. Its IUPAC name is 3,5-dimethyl-N-[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]-1,2-oxazole-4-sulfonamide
PubChem CID2740279
Molecular FormulaC16H13F3N2O3S2
Molecular Weight402.42 g/mol
Exact Mass402.03
IUPAC Name3,5-dimethyl-N-[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1csc(C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C16H13F3N2O3S2/c1-9-14(10(2)24-20-9)26(22,23)21-12-8-25-15(16(17,18)19)13(12)11-6-4-3-5-7-11/h3-8,21H,1-2H3
InChIKeyQDFJKOPMNDKPKS-UHFFFAOYSA-N
XLogP4.84
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]-1,2-oxazole-4-sulfonamide (CID 2740279) is 3,5-dimethyl-N-[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1csc(C(F)(F)F)c1-c1ccccc1.
What is the InChIKey of 3,5-dimethyl-N-[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]-1,2-oxazole-4-sulfonamide?
The InChIKey is QDFJKOPMNDKPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O3S2/c1-9-14(10(2)24-20-9)26(22,23)21-12-8-25-15(16(17,18)19)13(12)11-6-4-3-5-7-11/h3-8,21H,1-2H3.
What are the key properties of 3,5-dimethyl-N-[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]-1,2-oxazole-4-sulfonamide has a molecular weight of 402.42 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 2740279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).