(4R)-6-fluoro-4-[(2S,4R)-2-pyridin-4-yl-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-chromene-7-sulfonamide

C24H24F4N4O3S2 — CID 162605241

About (4R)-6-fluoro-4-[(2S,4R)-2-pyridin-4-yl-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-chromene-7-sulfonamide

(4R)-6-fluoro-4-[(2S,4R)-2-pyridin-4-yl-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-chromene-7-sulfonamide (PubChem CID 162605241) has the molecular formula C24H24F4N4O3S2 and a molecular weight of 556.61 g/mol. Its IUPAC name is (4R)-6-fluoro-4-[(2S,4R)-2-pyridin-4-yl-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-chromene-7-sulfonamide.

Molecular Properties

• Compound Name: (4R)-6-fluoro-4-[(2S,4R)-2-pyridin-4-yl-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-chromene-7-sulfonamide
• PubChem CID: 162605241
• Molecular Formula: C24H24F4N4O3S2
• Molecular Weight: 556.61 g/mol
• Exact Mass: 556.12
• IUPAC Name: (4R)-6-fluoro-4-[(2S,4R)-2-pyridin-4-yl-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-chromene-7-sulfonamide
• SMILES: O=S(=O)(NCc1nccs1)c1cc2c(cc1F)[C@H](N1CC[C@@H](C(F)(F)F)C[C@H]1c1ccncc1)CCO2
• InChI: InChI=1S/C24H24F4N4O3S2/c25-18-12-17-19(32-8-3-16(24(26,27)28)11-20(32)15-1-5-29-6-2-15)4-9-35-21(17)13-22(18)37(33,34)31-14-23-30-7-10-36-23/h1-2,5-7,10,12-13,16,19-20,31H,3-4,8-9,11,14H2/t16-,19-,20+/m1/s1
• InChIKey: YBFUMCZQESJERS-AHRSYUTCSA-N
• XLogP: 4.99
• TPSA: 84.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	556.61
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (4R)-6-fluoro-4-[(2S,4R)-2-pyridin-4-yl-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-chromene-7-sulfonamide (CID 162605241) is (4R)-6-fluoro-4-[(2S,4R)-2-pyridin-4-yl-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-chromene-7-sulfonamide.

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

The canonical SMILES for (4R)-6-fluoro-4-[(2S,4R)-2-pyridin-4-yl-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-chromene-7-sulfonamide is O=S(=O)(NCc1nccs1)c1cc2c(cc1F)[C@H](N1CC[C@@H](C(F)(F)F)C[C@H]1c1ccncc1)CCO2.

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

The InChIKey is YBFUMCZQESJERS-AHRSYUTCSA-N. The full InChI is InChI=1S/C24H24F4N4O3S2/c25-18-12-17-19(32-8-3-16(24(26,27)28)11-20(32)15-1-5-29-6-2-15)4-9-35-21(17)13-22(18)37(33,34)31-14-23-30-7-10-36-23/h1-2,5-7,10,12-13,16,19-20,31H,3-4,8-9,11,14H2/t16-,19-,20+/m1/s1.

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

(4R)-6-fluoro-4-[(2S,4R)-2-pyridin-4-yl-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-chromene-7-sulfonamide has a molecular weight of 556.61 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-6-fluoro-4-[(2S,4R)-2-pyridin-4-yl-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-chromene-7-sulfonamide is sourced from PubChem (CID 162605241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).