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

C25H19F5N4O2S — CID 154031669

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

N-(3,5-difluoro-2-pyridinyl)-1-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 154031669) has the molecular formula C25H19F5N4O2S and a molecular weight of 534.51 g/mol. Its IUPAC name is N-(3,5-difluoro-2-pyridinyl)-1-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

• Compound Name: N-(3,5-difluoro-2-pyridinyl)-1-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide
• PubChem CID: 154031669
• Molecular Formula: C25H19F5N4O2S
• Molecular Weight: 534.51 g/mol
• Exact Mass: 534.11
• IUPAC Name: N-(3,5-difluoro-2-pyridinyl)-1-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide
• SMILES: Cn1nccc1-c1cc(C(F)(F)F)ccc1C1CCc2cc(S(=O)(=O)Nc3ncc(F)cc3F)ccc21
• InChI: InChI=1S/C25H19F5N4O2S/c1-34-23(8-9-32-34)21-11-15(25(28,29)30)3-6-20(21)19-5-2-14-10-17(4-7-18(14)19)37(35,36)33-24-22(27)12-16(26)13-31-24/h3-4,6-13,19H,2,5H2,1H3,(H,31,33)
• InChIKey: SFXNQXXOLBCMFV-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 76.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.51
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(3,5-difluoro-2-pyridinyl)-1-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide (CID 154031669) is N-(3,5-difluoro-2-pyridinyl)-1-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide.

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

The canonical SMILES for N-(3,5-difluoro-2-pyridinyl)-1-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide is Cn1nccc1-c1cc(C(F)(F)F)ccc1C1CCc2cc(S(=O)(=O)Nc3ncc(F)cc3F)ccc21.

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

The InChIKey is SFXNQXXOLBCMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F5N4O2S/c1-34-23(8-9-32-34)21-11-15(25(28,29)30)3-6-20(21)19-5-2-14-10-17(4-7-18(14)19)37(35,36)33-24-22(27)12-16(26)13-31-24/h3-4,6-13,19H,2,5H2,1H3,(H,31,33).

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

N-(3,5-difluoro-2-pyridinyl)-1-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 534.51 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-difluoro-2-pyridinyl)-1-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 154031669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).