5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]thiophene-2-sulfonamide

C18H21F3N2O3S2 — CID 2742811

About 5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]thiophene-2-sulfonamide

5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]thiophene-2-sulfonamide (PubChem CID 2742811) has the molecular formula C18H21F3N2O3S2 and a molecular weight of 434.51 g/mol. Its IUPAC name is 5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]thiophene-2-sulfonamide.

Molecular Properties

• Compound Name: 5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]thiophene-2-sulfonamide
• PubChem CID: 2742811
• Molecular Formula: C18H21F3N2O3S2
• Molecular Weight: 434.51 g/mol
• Exact Mass: 434.09
• IUPAC Name: 5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]thiophene-2-sulfonamide
• SMILES: CC1(C)C2CC[C@@](C)(C2)C1NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1
• InChI: InChI=1S/C18H21F3N2O3S2/c1-16(2)10-6-7-17(3,9-10)15(16)23-28(24,25)14-5-4-12(27-14)11-8-13(26-22-11)18(19,20)21/h4-5,8,10,15,23H,6-7,9H2,1-3H3/t10?,15?,17-/m0/s1
• InChIKey: DUALNALUQKUVMH-NEUVLDQJSA-N
• XLogP: 4.91
• TPSA: 72.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.51
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]thiophene-2-sulfonamide?

The IUPAC name of 5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]thiophene-2-sulfonamide (CID 2742811) is 5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]thiophene-2-sulfonamide.

What is the SMILES notation for 5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]thiophene-2-sulfonamide?

The canonical SMILES for 5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]thiophene-2-sulfonamide is CC1(C)C2CC[C@@](C)(C2)C1NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1.

What is the InChIKey of 5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]thiophene-2-sulfonamide?

The InChIKey is DUALNALUQKUVMH-NEUVLDQJSA-N. The full InChI is InChI=1S/C18H21F3N2O3S2/c1-16(2)10-6-7-17(3,9-10)15(16)23-28(24,25)14-5-4-12(27-14)11-8-13(26-22-11)18(19,20)21/h4-5,8,10,15,23H,6-7,9H2,1-3H3/t10?,15?,17-/m0/s1.

What are the key properties of 5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]thiophene-2-sulfonamide?

5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]thiophene-2-sulfonamide has a molecular weight of 434.51 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]thiophene-2-sulfonamide is sourced from PubChem (CID 2742811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).