(4S)-N-[(2,4-dimethoxyphenyl)methyl]-4-[(2S,4R)-2-(4-fluorophenyl)-4-(trifluoromethoxy)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide

C32H32F4N4O6S2 — CID 135352238

About (4S)-N-[(2,4-dimethoxyphenyl)methyl]-4-[(2S,4R)-2-(4-fluorophenyl)-4-(trifluoromethoxy)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide

(4S)-N-[(2,4-dimethoxyphenyl)methyl]-4-[(2S,4R)-2-(4-fluorophenyl)-4-(trifluoromethoxy)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide (PubChem CID 135352238) has the molecular formula C32H32F4N4O6S2 and a molecular weight of 708.76 g/mol. Its IUPAC name is (4S)-N-[(2,4-dimethoxyphenyl)methyl]-4-[(2S,4R)-2-(4-fluorophenyl)-4-(trifluoromethoxy)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide.

Molecular Properties

• Compound Name: (4S)-N-[(2,4-dimethoxyphenyl)methyl]-4-[(2S,4R)-2-(4-fluorophenyl)-4-(trifluoromethoxy)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
• PubChem CID: 135352238
• Molecular Formula: C32H32F4N4O6S2
• Molecular Weight: 708.76 g/mol
• Exact Mass: 708.17
• IUPAC Name: (4S)-N-[(2,4-dimethoxyphenyl)methyl]-4-[(2S,4R)-2-(4-fluorophenyl)-4-(trifluoromethoxy)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
• SMILES: COc1ccc(CN(c2ncns2)S(=O)(=O)c2ccc3c(c2)OCC[C@@H]3N2CC[C@@H](OC(F)(F)F)C[C@H]2c2ccc(F)cc2)c(OC)c1
• InChI: InChI=1S/C32H32F4N4O6S2/c1-43-23-8-5-21(29(16-23)44-2)18-40(31-37-19-38-47-31)48(41,42)25-9-10-26-27(12-14-45-30(26)17-25)39-13-11-24(46-32(34,35)36)15-28(39)20-3-6-22(33)7-4-20/h3-10,16-17,19,24,27-28H,11-15,18H2,1-2H3/t24-,27+,28+/m1/s1
• InChIKey: OFYPHHVWXYAIKR-KGPYPHOUSA-N
• XLogP: 6.66
• TPSA: 103.32 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	708.76
LogP ≤ 5	6.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(2,4-dimethoxyphenyl)methyl]-4-[(2S,4R)-2-(4-fluorophenyl)-4-(trifluoromethoxy)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?

The IUPAC name of (4S)-N-[(2,4-dimethoxyphenyl)methyl]-4-[(2S,4R)-2-(4-fluorophenyl)-4-(trifluoromethoxy)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide (CID 135352238) is (4S)-N-[(2,4-dimethoxyphenyl)methyl]-4-[(2S,4R)-2-(4-fluorophenyl)-4-(trifluoromethoxy)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide.

What is the SMILES notation for (4S)-N-[(2,4-dimethoxyphenyl)methyl]-4-[(2S,4R)-2-(4-fluorophenyl)-4-(trifluoromethoxy)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?

The canonical SMILES for (4S)-N-[(2,4-dimethoxyphenyl)methyl]-4-[(2S,4R)-2-(4-fluorophenyl)-4-(trifluoromethoxy)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide is COc1ccc(CN(c2ncns2)S(=O)(=O)c2ccc3c(c2)OCC[C@@H]3N2CC[C@@H](OC(F)(F)F)C[C@H]2c2ccc(F)cc2)c(OC)c1.

What is the InChIKey of (4S)-N-[(2,4-dimethoxyphenyl)methyl]-4-[(2S,4R)-2-(4-fluorophenyl)-4-(trifluoromethoxy)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?

The InChIKey is OFYPHHVWXYAIKR-KGPYPHOUSA-N. The full InChI is InChI=1S/C32H32F4N4O6S2/c1-43-23-8-5-21(29(16-23)44-2)18-40(31-37-19-38-47-31)48(41,42)25-9-10-26-27(12-14-45-30(26)17-25)39-13-11-24(46-32(34,35)36)15-28(39)20-3-6-22(33)7-4-20/h3-10,16-17,19,24,27-28H,11-15,18H2,1-2H3/t24-,27+,28+/m1/s1.

What are the key properties of (4S)-N-[(2,4-dimethoxyphenyl)methyl]-4-[(2S,4R)-2-(4-fluorophenyl)-4-(trifluoromethoxy)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?

(4S)-N-[(2,4-dimethoxyphenyl)methyl]-4-[(2S,4R)-2-(4-fluorophenyl)-4-(trifluoromethoxy)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide has a molecular weight of 708.76 g/mol, XLogP of 6.66, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-N-[(2,4-dimethoxyphenyl)methyl]-4-[(2S,4R)-2-(4-fluorophenyl)-4-(trifluoromethoxy)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide is sourced from PubChem (CID 135352238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).