N-[(Z)-benzylideneamino]-4-[2-[4-[[(Z)-benzylideneamino]sulfamoyl]phenyl]ethyl]benzenesulfonamide

C28H26N4O4S2 — CID 125114108

IUPACN-[(Z)-benzylideneamino]-4-[2-[4-[[(Z)-benzylideneamino]sulfamoyl]phenyl]ethyl]benzenesulfonamide
SMILESO=S(=O)(N/N=C\c1ccccc1)c1ccc(CCc2ccc(S(=O)(=O)N/N=C\c3ccccc3)cc2)cc1
InChIInChI=1S/C28H26N4O4S2/c33-37(34,31-29-21-25-7-3-1-4-8-25)27-17-13-23(14-18-27)11-12-24-15-19-28(20-16-24)38(35,36)32-30-22-26-9-5-2-6-10-26/h1-10,13-22,31-32H,11-12H2/b29-21-,30-22-
InChIKeyLFAKXDMSQUFACY-DHQAUHHZSA-N
MW546.67 g/mol
LogP4.10
Rot. Bonds11

About N-[(Z)-benzylideneamino]-4-[2-[4-[[(Z)-benzylideneamino]sulfamoyl]phenyl]ethyl]benzenesulfonamide

N-[(Z)-benzylideneamino]-4-[2-[4-[[(Z)-benzylideneamino]sulfamoyl]phenyl]ethyl]benzenesulfonamide (PubChem CID 125114108) has the molecular formula C28H26N4O4S2 and a molecular weight of 546.67 g/mol. Its IUPAC name is N-[(Z)-benzylideneamino]-4-[2-[4-[[(Z)-benzylideneamino]sulfamoyl]phenyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-benzylideneamino]-4-[2-[4-[[(Z)-benzylideneamino]sulfamoyl]phenyl]ethyl]benzenesulfonamide
PubChem CID125114108
Molecular FormulaC28H26N4O4S2
Molecular Weight546.67 g/mol
Exact Mass546.14
IUPAC NameN-[(Z)-benzylideneamino]-4-[2-[4-[[(Z)-benzylideneamino]sulfamoyl]phenyl]ethyl]benzenesulfonamide
SMILESO=S(=O)(N/N=C\c1ccccc1)c1ccc(CCc2ccc(S(=O)(=O)N/N=C\c3ccccc3)cc2)cc1
InChIInChI=1S/C28H26N4O4S2/c33-37(34,31-29-21-25-7-3-1-4-8-25)27-17-13-23(14-18-27)11-12-24-15-19-28(20-16-24)38(35,36)32-30-22-26-9-5-2-6-10-26/h1-10,13-22,31-32H,11-12H2/b29-21-,30-22-
InChIKeyLFAKXDMSQUFACY-DHQAUHHZSA-N
XLogP4.10
TPSA117.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.67
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-benzylideneamino]-4-[2-[4-[[(Z)-benzylideneamino]sulfamoyl]phenyl]ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[(E)-[4-[(E)-2-phenylethenyl]phenyl]methylideneamino]benzenesulfonamide
CID 162516902
N-[(E)-benzylideneamino]-4-(2-oxopropylamino)benzenesulfonamide
CID 6900166
N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 135641596
N-[(Z)-(4-methylphenyl)methylideneamino]benzenesulfonamide
CID 5387407
N-[[4-(dimethylamino)phenyl]methylideneamino]benzenesulfonamide
CID 872082
N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide
CID 3660828
N-[(3-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 2692691
4-ethyl-N-(pyridin-3-ylmethylideneamino)benzenesulfonamide
CID 27484544
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzenesulfonamide
CID 5335146
N-[(Z)-benzylideneamino]sulfamoyl iodide
CID 129147769
N-[(E)-(3-butylphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 170774954
4-ethyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide
CID 17338009

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-benzylideneamino]-4-[2-[4-[[(Z)-benzylideneamino]sulfamoyl]phenyl]ethyl]benzenesulfonamide?
The IUPAC name of N-[(Z)-benzylideneamino]-4-[2-[4-[[(Z)-benzylideneamino]sulfamoyl]phenyl]ethyl]benzenesulfonamide (CID 125114108) is N-[(Z)-benzylideneamino]-4-[2-[4-[[(Z)-benzylideneamino]sulfamoyl]phenyl]ethyl]benzenesulfonamide.
What is the SMILES notation for N-[(Z)-benzylideneamino]-4-[2-[4-[[(Z)-benzylideneamino]sulfamoyl]phenyl]ethyl]benzenesulfonamide?
The canonical SMILES for N-[(Z)-benzylideneamino]-4-[2-[4-[[(Z)-benzylideneamino]sulfamoyl]phenyl]ethyl]benzenesulfonamide is O=S(=O)(N/N=C\c1ccccc1)c1ccc(CCc2ccc(S(=O)(=O)N/N=C\c3ccccc3)cc2)cc1.
What is the InChIKey of N-[(Z)-benzylideneamino]-4-[2-[4-[[(Z)-benzylideneamino]sulfamoyl]phenyl]ethyl]benzenesulfonamide?
The InChIKey is LFAKXDMSQUFACY-DHQAUHHZSA-N. The full InChI is InChI=1S/C28H26N4O4S2/c33-37(34,31-29-21-25-7-3-1-4-8-25)27-17-13-23(14-18-27)11-12-24-15-19-28(20-16-24)38(35,36)32-30-22-26-9-5-2-6-10-26/h1-10,13-22,31-32H,11-12H2/b29-21-,30-22-.
What are the key properties of N-[(Z)-benzylideneamino]-4-[2-[4-[[(Z)-benzylideneamino]sulfamoyl]phenyl]ethyl]benzenesulfonamide?
N-[(Z)-benzylideneamino]-4-[2-[4-[[(Z)-benzylideneamino]sulfamoyl]phenyl]ethyl]benzenesulfonamide has a molecular weight of 546.67 g/mol, XLogP of 4.10, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-benzylideneamino]-4-[2-[4-[[(Z)-benzylideneamino]sulfamoyl]phenyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 125114108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).