2-methoxy-5-methyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzenesulfonamide

C17H20F3N3O4S — CID 90615714

About 2-methoxy-5-methyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzenesulfonamide

2-methoxy-5-methyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzenesulfonamide (PubChem CID 90615714) has the molecular formula C17H20F3N3O4S and a molecular weight of 419.43 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 2-methoxy-5-methyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzenesulfonamide
• PubChem CID: 90615714
• Molecular Formula: C17H20F3N3O4S
• Molecular Weight: 419.43 g/mol
• Exact Mass: 419.11
• IUPAC Name: 2-methoxy-5-methyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzenesulfonamide
• SMILES: COc1ccc(C)cc1S(=O)(=O)NCCn1nc(C(F)(F)F)c2c1CCOC2
• InChI: InChI=1S/C17H20F3N3O4S/c1-11-3-4-14(26-2)15(9-11)28(24,25)21-6-7-23-13-5-8-27-10-12(13)16(22-23)17(18,19)20/h3-4,9,21H,5-8,10H2,1-2H3
• InChIKey: JBRGSUKNMMIFGK-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 82.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.43
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzenesulfonamide?

The IUPAC name of 2-methoxy-5-methyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzenesulfonamide (CID 90615714) is 2-methoxy-5-methyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzenesulfonamide.

What is the SMILES notation for 2-methoxy-5-methyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzenesulfonamide?

The canonical SMILES for 2-methoxy-5-methyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)NCCn1nc(C(F)(F)F)c2c1CCOC2.

What is the InChIKey of 2-methoxy-5-methyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzenesulfonamide?

The InChIKey is JBRGSUKNMMIFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O4S/c1-11-3-4-14(26-2)15(9-11)28(24,25)21-6-7-23-13-5-8-27-10-12(13)16(22-23)17(18,19)20/h3-4,9,21H,5-8,10H2,1-2H3.

What are the key properties of 2-methoxy-5-methyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzenesulfonamide?

2-methoxy-5-methyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzenesulfonamide has a molecular weight of 419.43 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-5-methyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 90615714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).