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

C23H22F4N4O3S2 — CID 135352256

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

(4R)-6-fluoro-4-[(2S,4R)-2-pyridin-3-yl-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide (PubChem CID 135352256) has the molecular formula C23H22F4N4O3S2 and a molecular weight of 542.58 g/mol. Its IUPAC name is (4R)-6-fluoro-4-[(2S,4R)-2-pyridin-3-yl-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide.

Molecular Properties

• Compound Name: (4R)-6-fluoro-4-[(2S,4R)-2-pyridin-3-yl-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
• PubChem CID: 135352256
• Molecular Formula: C23H22F4N4O3S2
• Molecular Weight: 542.58 g/mol
• Exact Mass: 542.11
• IUPAC Name: (4R)-6-fluoro-4-[(2S,4R)-2-pyridin-3-yl-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
• SMILES: O=S(=O)(Nc1nccs1)c1cc2c(cc1F)[C@H](N1CC[C@@H](C(F)(F)F)C[C@H]1c1cccnc1)CCO2
• InChI: InChI=1S/C23H22F4N4O3S2/c24-17-11-16-18(4-8-34-20(16)12-21(17)36(32,33)30-22-29-6-9-35-22)31-7-3-15(23(25,26)27)10-19(31)14-2-1-5-28-13-14/h1-2,5-6,9,11-13,15,18-19H,3-4,7-8,10H2,(H,29,30)/t15-,18-,19+/m1/s1
• InChIKey: SKNMYBSLGKVMDQ-LZQZEXGQSA-N
• XLogP: 5.32
• TPSA: 84.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.58
LogP ≤ 5	5.32
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-3-yl-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?

The IUPAC name of (4R)-6-fluoro-4-[(2S,4R)-2-pyridin-3-yl-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide (CID 135352256) is (4R)-6-fluoro-4-[(2S,4R)-2-pyridin-3-yl-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide.

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

The canonical SMILES for (4R)-6-fluoro-4-[(2S,4R)-2-pyridin-3-yl-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide is O=S(=O)(Nc1nccs1)c1cc2c(cc1F)[C@H](N1CC[C@@H](C(F)(F)F)C[C@H]1c1cccnc1)CCO2.

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

The InChIKey is SKNMYBSLGKVMDQ-LZQZEXGQSA-N. The full InChI is InChI=1S/C23H22F4N4O3S2/c24-17-11-16-18(4-8-34-20(16)12-21(17)36(32,33)30-22-29-6-9-35-22)31-7-3-15(23(25,26)27)10-19(31)14-2-1-5-28-13-14/h1-2,5-6,9,11-13,15,18-19H,3-4,7-8,10H2,(H,29,30)/t15-,18-,19+/m1/s1.

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

(4R)-6-fluoro-4-[(2S,4R)-2-pyridin-3-yl-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide has a molecular weight of 542.58 g/mol, XLogP of 5.32, 5 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-3-yl-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide is sourced from PubChem (CID 135352256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).