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

C32H34F2N4O5S2 — CID 135352052

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

N-[(2,4-dimethoxyphenyl)methyl]-4-[(2S,4R)-4-(fluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide (PubChem CID 135352052) has the molecular formula C32H34F2N4O5S2 and a molecular weight of 656.78 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-4-[(2S,4R)-4-(fluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide.

Molecular Properties

• Compound Name: N-[(2,4-dimethoxyphenyl)methyl]-4-[(2S,4R)-4-(fluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
• PubChem CID: 135352052
• Molecular Formula: C32H34F2N4O5S2
• Molecular Weight: 656.78 g/mol
• Exact Mass: 656.19
• IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]-4-[(2S,4R)-4-(fluoromethyl)-2-(4-fluorophenyl)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)OCCC3N2CC[C@@H](CF)C[C@H]2c2ccc(F)cc2)c(OC)c1
• InChI: InChI=1S/C32H34F2N4O5S2/c1-41-25-8-5-23(30(16-25)42-2)19-38(32-35-20-36-44-32)45(39,40)26-9-10-27-28(12-14-43-31(27)17-26)37-13-11-21(18-33)15-29(37)22-3-6-24(34)7-4-22/h3-10,16-17,20-21,28-29H,11-15,18-19H2,1-2H3/t21-,28?,29+/m1/s1
• InChIKey: DCWNPUFFJVQCCP-ZXSJHISUSA-N
• XLogP: 6.34
• TPSA: 94.09 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	656.78
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-4-[(2S,4R)-4-(fluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide (CID 135352052) is N-[(2,4-dimethoxyphenyl)methyl]-4-[(2S,4R)-4-(fluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide.

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

The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-4-[(2S,4R)-4-(fluoromethyl)-2-(4-fluorophenyl)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)OCCC3N2CC[C@@H](CF)C[C@H]2c2ccc(F)cc2)c(OC)c1.

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

The InChIKey is DCWNPUFFJVQCCP-ZXSJHISUSA-N. The full InChI is InChI=1S/C32H34F2N4O5S2/c1-41-25-8-5-23(30(16-25)42-2)19-38(32-35-20-36-44-32)45(39,40)26-9-10-27-28(12-14-43-31(27)17-26)37-13-11-21(18-33)15-29(37)22-3-6-24(34)7-4-22/h3-10,16-17,20-21,28-29H,11-15,18-19H2,1-2H3/t21-,28?,29+/m1/s1.

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

N-[(2,4-dimethoxyphenyl)methyl]-4-[(2S,4R)-4-(fluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide has a molecular weight of 656.78 g/mol, XLogP of 6.34, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,4-dimethoxyphenyl)methyl]-4-[(2S,4R)-4-(fluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide is sourced from PubChem (CID 135352052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).