(4R)-N-(6-fluoro-2-pyridinyl)-4-[2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide

C24H17F4N3O3S2 — CID 126668914

About (4R)-N-(6-fluoro-2-pyridinyl)-4-[2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide

(4R)-N-(6-fluoro-2-pyridinyl)-4-[2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide (PubChem CID 126668914) has the molecular formula C24H17F4N3O3S2 and a molecular weight of 535.54 g/mol. Its IUPAC name is (4R)-N-(6-fluoro-2-pyridinyl)-4-[2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide.

Molecular Properties

• Compound Name: (4R)-N-(6-fluoro-2-pyridinyl)-4-[2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide
• PubChem CID: 126668914
• Molecular Formula: C24H17F4N3O3S2
• Molecular Weight: 535.54 g/mol
• Exact Mass: 535.06
• IUPAC Name: (4R)-N-(6-fluoro-2-pyridinyl)-4-[2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide
• SMILES: O=S(=O)(Nc1cccc(F)n1)c1ccc2c(c1)OCC[C@@H]2c1ccc(C(F)(F)F)cc1-c1nccs1
• InChI: InChI=1S/C24H17F4N3O3S2/c25-21-2-1-3-22(30-21)31-36(32,33)15-5-7-18-17(8-10-34-20(18)13-15)16-6-4-14(24(26,27)28)12-19(16)23-29-9-11-35-23/h1-7,9,11-13,17H,8,10H2,(H,30,31)/t17-/m1/s1
• InChIKey: WIJLUUOHOGAOEI-QGZVFWFLSA-N
• XLogP: 6.08
• TPSA: 81.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.54
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(6-fluoro-2-pyridinyl)-4-[2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide?

The IUPAC name of (4R)-N-(6-fluoro-2-pyridinyl)-4-[2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide (CID 126668914) is (4R)-N-(6-fluoro-2-pyridinyl)-4-[2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide.

What is the SMILES notation for (4R)-N-(6-fluoro-2-pyridinyl)-4-[2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide?

The canonical SMILES for (4R)-N-(6-fluoro-2-pyridinyl)-4-[2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide is O=S(=O)(Nc1cccc(F)n1)c1ccc2c(c1)OCC[C@@H]2c1ccc(C(F)(F)F)cc1-c1nccs1.

What is the InChIKey of (4R)-N-(6-fluoro-2-pyridinyl)-4-[2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide?

The InChIKey is WIJLUUOHOGAOEI-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H17F4N3O3S2/c25-21-2-1-3-22(30-21)31-36(32,33)15-5-7-18-17(8-10-34-20(18)13-15)16-6-4-14(24(26,27)28)12-19(16)23-29-9-11-35-23/h1-7,9,11-13,17H,8,10H2,(H,30,31)/t17-/m1/s1.

What are the key properties of (4R)-N-(6-fluoro-2-pyridinyl)-4-[2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide?

(4R)-N-(6-fluoro-2-pyridinyl)-4-[2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide has a molecular weight of 535.54 g/mol, XLogP of 6.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-N-(6-fluoro-2-pyridinyl)-4-[2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide is sourced from PubChem (CID 126668914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).