N-[2-chloro-4-[[(2S)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]sulfamoyl]phenyl]acetamide

C22H26Cl3N3O5S — CID 68588243

About N-[2-chloro-4-[[(2S)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]sulfamoyl]phenyl]acetamide

N-[2-chloro-4-[[(2S)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]sulfamoyl]phenyl]acetamide (PubChem CID 68588243) has the molecular formula C22H26Cl3N3O5S and a molecular weight of 550.89 g/mol. Its IUPAC name is N-[2-chloro-4-[[(2S)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[2-chloro-4-[[(2S)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]sulfamoyl]phenyl]acetamide
• PubChem CID: 68588243
• Molecular Formula: C22H26Cl3N3O5S
• Molecular Weight: 550.89 g/mol
• Exact Mass: 549.07
• IUPAC Name: N-[2-chloro-4-[[(2S)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]sulfamoyl]phenyl]acetamide
• SMILES: CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](O)CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)cc1Cl
• InChI: InChI=1S/C22H26Cl3N3O5S/c1-14(29)27-22-5-3-18(11-21(22)25)34(31,32)26-12-15(30)13-28-8-6-16(7-9-28)33-17-2-4-19(23)20(24)10-17/h2-5,10-11,15-16,26,30H,6-9,12-13H2,1H3,(H,27,29)/t15-/m1/s1
• InChIKey: UMCJSFCPZQUVIQ-OAHLLOKOSA-N
• XLogP: 3.79
• TPSA: 107.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.89
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[[(2S)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]sulfamoyl]phenyl]acetamide?

The IUPAC name of N-[2-chloro-4-[[(2S)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]sulfamoyl]phenyl]acetamide (CID 68588243) is N-[2-chloro-4-[[(2S)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]sulfamoyl]phenyl]acetamide.

What is the SMILES notation for N-[2-chloro-4-[[(2S)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]sulfamoyl]phenyl]acetamide?

The canonical SMILES for N-[2-chloro-4-[[(2S)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](O)CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)cc1Cl.

What is the InChIKey of N-[2-chloro-4-[[(2S)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]sulfamoyl]phenyl]acetamide?

The InChIKey is UMCJSFCPZQUVIQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H26Cl3N3O5S/c1-14(29)27-22-5-3-18(11-21(22)25)34(31,32)26-12-15(30)13-28-8-6-16(7-9-28)33-17-2-4-19(23)20(24)10-17/h2-5,10-11,15-16,26,30H,6-9,12-13H2,1H3,(H,27,29)/t15-/m1/s1.

What are the key properties of N-[2-chloro-4-[[(2S)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]sulfamoyl]phenyl]acetamide?

N-[2-chloro-4-[[(2S)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]sulfamoyl]phenyl]acetamide has a molecular weight of 550.89 g/mol, XLogP of 3.79, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-4-[[(2S)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 68588243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).