N-[4-[5-(3-aminophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-3-[3-[[4-[5-(3-aminophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide

C43H38N8O5S2 — CID 10795497

About N-[4-[5-(3-aminophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-3-[3-[[4-[5-(3-aminophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide

N-[4-[5-(3-aminophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-3-[3-[[4-[5-(3-aminophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide (PubChem CID 10795497) has the molecular formula C43H38N8O5S2 and a molecular weight of 810.96 g/mol. Its IUPAC name is N-[4-[5-(3-aminophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-3-[3-[[4-[5-(3-aminophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide.

Molecular Properties

• Compound Name: N-[4-[5-(3-aminophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-3-[3-[[4-[5-(3-aminophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide
• PubChem CID: 10795497
• Molecular Formula: C43H38N8O5S2
• Molecular Weight: 810.96 g/mol
• Exact Mass: 810.24
• IUPAC Name: N-[4-[5-(3-aminophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-3-[3-[[4-[5-(3-aminophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide
• SMILES: Nc1cccc(C2CC(c3ccc(NS(=O)(=O)c4cccc(C(=O)c5cccc(S(=O)(=O)Nc6ccc(C7=NNC(c8cccc(N)c8)C7)cc6)c5)c4)cc3)=NN2)c1
• InChI: InChI=1S/C43H38N8O5S2/c44-33-9-1-5-29(21-33)41-25-39(46-48-41)27-13-17-35(18-14-27)50-57(53,54)37-11-3-7-31(23-37)43(52)32-8-4-12-38(24-32)58(55,56)51-36-19-15-28(16-20-36)40-26-42(49-47-40)30-6-2-10-34(45)22-30/h1-24,41-42,48-51H,25-26,44-45H2
• InChIKey: RDOOSSCNYAEVOT-UHFFFAOYSA-N
• XLogP: 6.56
• TPSA: 210.23 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	810.96
LogP ≤ 5	6.56
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(3-aminophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-3-[3-[[4-[5-(3-aminophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide?

The IUPAC name of N-[4-[5-(3-aminophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-3-[3-[[4-[5-(3-aminophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide (CID 10795497) is N-[4-[5-(3-aminophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-3-[3-[[4-[5-(3-aminophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide.

What is the SMILES notation for N-[4-[5-(3-aminophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-3-[3-[[4-[5-(3-aminophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide?

The canonical SMILES for N-[4-[5-(3-aminophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-3-[3-[[4-[5-(3-aminophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide is Nc1cccc(C2CC(c3ccc(NS(=O)(=O)c4cccc(C(=O)c5cccc(S(=O)(=O)Nc6ccc(C7=NNC(c8cccc(N)c8)C7)cc6)c5)c4)cc3)=NN2)c1.

What is the InChIKey of N-[4-[5-(3-aminophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-3-[3-[[4-[5-(3-aminophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide?

The InChIKey is RDOOSSCNYAEVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H38N8O5S2/c44-33-9-1-5-29(21-33)41-25-39(46-48-41)27-13-17-35(18-14-27)50-57(53,54)37-11-3-7-31(23-37)43(52)32-8-4-12-38(24-32)58(55,56)51-36-19-15-28(16-20-36)40-26-42(49-47-40)30-6-2-10-34(45)22-30/h1-24,41-42,48-51H,25-26,44-45H2.

What are the key properties of N-[4-[5-(3-aminophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-3-[3-[[4-[5-(3-aminophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide?

N-[4-[5-(3-aminophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-3-[3-[[4-[5-(3-aminophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide has a molecular weight of 810.96 g/mol, XLogP of 6.56, 12 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-(3-aminophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-3-[3-[[4-[5-(3-aminophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide is sourced from PubChem (CID 10795497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).