2,4-dimethyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzenesulfonamide

C17H20F3N3O3S — CID 90615685

About 2,4-dimethyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzenesulfonamide

2,4-dimethyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzenesulfonamide (PubChem CID 90615685) has the molecular formula C17H20F3N3O3S and a molecular weight of 403.43 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 2,4-dimethyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzenesulfonamide
• PubChem CID: 90615685
• Molecular Formula: C17H20F3N3O3S
• Molecular Weight: 403.43 g/mol
• Exact Mass: 403.12
• IUPAC Name: 2,4-dimethyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzenesulfonamide
• SMILES: Cc1ccc(S(=O)(=O)NCCn2nc(C(F)(F)F)c3c2CCOC3)c(C)c1
• InChI: InChI=1S/C17H20F3N3O3S/c1-11-3-4-15(12(2)9-11)27(24,25)21-6-7-23-14-5-8-26-10-13(14)16(22-23)17(18,19)20/h3-4,9,21H,5-8,10H2,1-2H3
• InChIKey: QOVGAXYDLUOWDL-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 73.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.43
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzenesulfonamide?

The IUPAC name of 2,4-dimethyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzenesulfonamide (CID 90615685) is 2,4-dimethyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzenesulfonamide.

What is the SMILES notation for 2,4-dimethyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzenesulfonamide?

The canonical SMILES for 2,4-dimethyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCn2nc(C(F)(F)F)c3c2CCOC3)c(C)c1.

What is the InChIKey of 2,4-dimethyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzenesulfonamide?

The InChIKey is QOVGAXYDLUOWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O3S/c1-11-3-4-15(12(2)9-11)27(24,25)21-6-7-23-14-5-8-26-10-13(14)16(22-23)17(18,19)20/h3-4,9,21H,5-8,10H2,1-2H3.

What are the key properties of 2,4-dimethyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzenesulfonamide?

2,4-dimethyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzenesulfonamide has a molecular weight of 403.43 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 90615685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).