N,N'-dibenzyl-N'-[6-[benzyl-[6-[benzyl-[6-[benzyl-[6-[benzyl(methylsulfonyl)sulfamoyl]hexylsulfonyl]sulfamoyl]hexylsulfonyl]sulfamoyl]hexylsulfonyl]sulfamoyl]hexylsulfonyl]-N-methylsulfonylhexane-1,6-disulfonamide

C74H108N6O24S12 — CID 11332398

About N,N'-dibenzyl-N'-[6-[benzyl-[6-[benzyl-[6-[benzyl-[6-[benzyl(methylsulfonyl)sulfamoyl]hexylsulfonyl]sulfamoyl]hexylsulfonyl]sulfamoyl]hexylsulfonyl]sulfamoyl]hexylsulfonyl]-N-methylsulfonylhexane-1,6-disulfonamide

N,N'-dibenzyl-N'-[6-[benzyl-[6-[benzyl-[6-[benzyl-[6-[benzyl(methylsulfonyl)sulfamoyl]hexylsulfonyl]sulfamoyl]hexylsulfonyl]sulfamoyl]hexylsulfonyl]sulfamoyl]hexylsulfonyl]-N-methylsulfonylhexane-1,6-disulfonamide (PubChem CID 11332398) has the molecular formula C74H108N6O24S12 and a molecular weight of 1850.50 g/mol. Its IUPAC name is N,N'-dibenzyl-N'-[6-[benzyl-[6-[benzyl-[6-[benzyl-[6-[benzyl(methylsulfonyl)sulfamoyl]hexylsulfonyl]sulfamoyl]hexylsulfonyl]sulfamoyl]hexylsulfonyl]sulfamoyl]hexylsulfonyl]-N-methylsulfonylhexane-1,6-disulfonamide.

Molecular Properties

• Compound Name: N,N'-dibenzyl-N'-[6-[benzyl-[6-[benzyl-[6-[benzyl-[6-[benzyl(methylsulfonyl)sulfamoyl]hexylsulfonyl]sulfamoyl]hexylsulfonyl]sulfamoyl]hexylsulfonyl]sulfamoyl]hexylsulfonyl]-N-methylsulfonylhexane-1,6-disulfonamide
• PubChem CID: 11332398
• Molecular Formula: C74H108N6O24S12
• Molecular Weight: 1850.50 g/mol
• Exact Mass: 1848.41
• IUPAC Name: N,N'-dibenzyl-N'-[6-[benzyl-[6-[benzyl-[6-[benzyl-[6-[benzyl(methylsulfonyl)sulfamoyl]hexylsulfonyl]sulfamoyl]hexylsulfonyl]sulfamoyl]hexylsulfonyl]sulfamoyl]hexylsulfonyl]-N-methylsulfonylhexane-1,6-disulfonamide
• SMILES: CS(=O)(=O)N(Cc1ccccc1)S(=O)(=O)CCCCCCS(=O)(=O)N(Cc1ccccc1)S(=O)(=O)CCCCCCS(=O)(=O)N(Cc1ccccc1)S(=O)(=O)CCCCCCS(=O)(=O)N(Cc1ccccc1)S(=O)(=O)CCCCCCS(=O)(=O)N(Cc1ccccc1)S(=O)(=O)CCCCCCS(=O)(=O)N(Cc1ccccc1)S(C)(=O)=O
• InChI: InChI=1S/C74H108N6O24S12/c1-105(81,82)75(63-69-41-19-13-20-42-69)107(85,86)53-31-3-5-33-55-109(89,90)77(65-71-45-23-15-24-46-71)111(93,94)57-35-7-9-37-59-113(97,98)79(67-73-49-27-17-28-50-73)115(101,102)61-39-11-12-40-62-116(103,104)80(68-74-51-29-18-30-52-74)114(99,100)60-38-10-8-36-58-112(95,96)78(66-72-47-25-16-26-48-72)110(91,92)56-34-6-4-32-54-108(87,88)76(106(2,83)84)64-70-43-21-14-22-44-70/h13-30,41-52H,3-12,31-40,53-68H2,1-2H3
• InChIKey: UFEATZXRURJRGS-UHFFFAOYSA-N
• XLogP: 9.02
• TPSA: 429.12 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 59
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1850.50
LogP ≤ 5	9.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N'-dibenzyl-N'-[6-[benzyl-[6-[benzyl-[6-[benzyl-[6-[benzyl(methylsulfonyl)sulfamoyl]hexylsulfonyl]sulfamoyl]hexylsulfonyl]sulfamoyl]hexylsulfonyl]sulfamoyl]hexylsulfonyl]-N-methylsulfonylhexane-1,6-disulfonamide?

The IUPAC name of N,N'-dibenzyl-N'-[6-[benzyl-[6-[benzyl-[6-[benzyl-[6-[benzyl(methylsulfonyl)sulfamoyl]hexylsulfonyl]sulfamoyl]hexylsulfonyl]sulfamoyl]hexylsulfonyl]sulfamoyl]hexylsulfonyl]-N-methylsulfonylhexane-1,6-disulfonamide (CID 11332398) is N,N'-dibenzyl-N'-[6-[benzyl-[6-[benzyl-[6-[benzyl-[6-[benzyl(methylsulfonyl)sulfamoyl]hexylsulfonyl]sulfamoyl]hexylsulfonyl]sulfamoyl]hexylsulfonyl]sulfamoyl]hexylsulfonyl]-N-methylsulfonylhexane-1,6-disulfonamide.

What is the SMILES notation for N,N'-dibenzyl-N'-[6-[benzyl-[6-[benzyl-[6-[benzyl-[6-[benzyl(methylsulfonyl)sulfamoyl]hexylsulfonyl]sulfamoyl]hexylsulfonyl]sulfamoyl]hexylsulfonyl]sulfamoyl]hexylsulfonyl]-N-methylsulfonylhexane-1,6-disulfonamide?

The canonical SMILES for N,N'-dibenzyl-N'-[6-[benzyl-[6-[benzyl-[6-[benzyl-[6-[benzyl(methylsulfonyl)sulfamoyl]hexylsulfonyl]sulfamoyl]hexylsulfonyl]sulfamoyl]hexylsulfonyl]sulfamoyl]hexylsulfonyl]-N-methylsulfonylhexane-1,6-disulfonamide is CS(=O)(=O)N(Cc1ccccc1)S(=O)(=O)CCCCCCS(=O)(=O)N(Cc1ccccc1)S(=O)(=O)CCCCCCS(=O)(=O)N(Cc1ccccc1)S(=O)(=O)CCCCCCS(=O)(=O)N(Cc1ccccc1)S(=O)(=O)CCCCCCS(=O)(=O)N(Cc1ccccc1)S(=O)(=O)CCCCCCS(=O)(=O)N(Cc1ccccc1)S(C)(=O)=O.

What is the InChIKey of N,N'-dibenzyl-N'-[6-[benzyl-[6-[benzyl-[6-[benzyl-[6-[benzyl(methylsulfonyl)sulfamoyl]hexylsulfonyl]sulfamoyl]hexylsulfonyl]sulfamoyl]hexylsulfonyl]sulfamoyl]hexylsulfonyl]-N-methylsulfonylhexane-1,6-disulfonamide?

The InChIKey is UFEATZXRURJRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H108N6O24S12/c1-105(81,82)75(63-69-41-19-13-20-42-69)107(85,86)53-31-3-5-33-55-109(89,90)77(65-71-45-23-15-24-46-71)111(93,94)57-35-7-9-37-59-113(97,98)79(67-73-49-27-17-28-50-73)115(101,102)61-39-11-12-40-62-116(103,104)80(68-74-51-29-18-30-52-74)114(99,100)60-38-10-8-36-58-112(95,96)78(66-72-47-25-16-26-48-72)110(91,92)56-34-6-4-32-54-108(87,88)76(106(2,83)84)64-70-43-21-14-22-44-70/h13-30,41-52H,3-12,31-40,53-68H2,1-2H3.

What are the key properties of N,N'-dibenzyl-N'-[6-[benzyl-[6-[benzyl-[6-[benzyl-[6-[benzyl(methylsulfonyl)sulfamoyl]hexylsulfonyl]sulfamoyl]hexylsulfonyl]sulfamoyl]hexylsulfonyl]sulfamoyl]hexylsulfonyl]-N-methylsulfonylhexane-1,6-disulfonamide?

N,N'-dibenzyl-N'-[6-[benzyl-[6-[benzyl-[6-[benzyl-[6-[benzyl(methylsulfonyl)sulfamoyl]hexylsulfonyl]sulfamoyl]hexylsulfonyl]sulfamoyl]hexylsulfonyl]sulfamoyl]hexylsulfonyl]-N-methylsulfonylhexane-1,6-disulfonamide has a molecular weight of 1850.50 g/mol, XLogP of 9.02, 59 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N,N'-dibenzyl-N'-[6-[benzyl-[6-[benzyl-[6-[benzyl-[6-[benzyl(methylsulfonyl)sulfamoyl]hexylsulfonyl]sulfamoyl]hexylsulfonyl]sulfamoyl]hexylsulfonyl]sulfamoyl]hexylsulfonyl]-N-methylsulfonylhexane-1,6-disulfonamide is sourced from PubChem (CID 11332398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).