1-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-pyridin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide

C25H21F3N4O2S — CID 135324906

About 1-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-pyridin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide

1-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-pyridin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 135324906) has the molecular formula C25H21F3N4O2S and a molecular weight of 498.53 g/mol. Its IUPAC name is 1-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-pyridin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

• Compound Name: 1-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-pyridin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide
• PubChem CID: 135324906
• Molecular Formula: C25H21F3N4O2S
• Molecular Weight: 498.53 g/mol
• Exact Mass: 498.13
• IUPAC Name: 1-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-pyridin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide
• SMILES: Cn1nccc1-c1cc(C(F)(F)F)ccc1C1CCc2cc(S(=O)(=O)Nc3ccccn3)ccc21
• InChI: InChI=1S/C25H21F3N4O2S/c1-32-23(11-13-30-32)22-15-17(25(26,27)28)6-9-21(22)20-8-5-16-14-18(7-10-19(16)20)35(33,34)31-24-4-2-3-12-29-24/h2-4,6-7,9-15,20H,5,8H2,1H3,(H,29,31)
• InChIKey: IXCXPVWLGQTWEI-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 76.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.53
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-pyridin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide?

The IUPAC name of 1-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-pyridin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide (CID 135324906) is 1-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-pyridin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide.

What is the SMILES notation for 1-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-pyridin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide?

The canonical SMILES for 1-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-pyridin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide is Cn1nccc1-c1cc(C(F)(F)F)ccc1C1CCc2cc(S(=O)(=O)Nc3ccccn3)ccc21.

What is the InChIKey of 1-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-pyridin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide?

The InChIKey is IXCXPVWLGQTWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N4O2S/c1-32-23(11-13-30-32)22-15-17(25(26,27)28)6-9-21(22)20-8-5-16-14-18(7-10-19(16)20)35(33,34)31-24-4-2-3-12-29-24/h2-4,6-7,9-15,20H,5,8H2,1H3,(H,29,31).

What are the key properties of 1-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-pyridin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide?

1-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-pyridin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 498.53 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-pyridin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 135324906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).