N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide

C25H21N3O2S — CID 3660828

IUPACN-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide
SMILESO=S(=O)(NN=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C25H21N3O2S/c29-31(30,25-14-8-3-9-15-25)27-26-20-21-16-18-24(19-17-21)28(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-20,27H
InChIKeyZUHQOCZJUJEJRY-UHFFFAOYSA-N
MW427.53 g/mol
LogP5.47
Rot. Bonds7

About N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide

N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide (PubChem CID 3660828) has the molecular formula C25H21N3O2S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide
PubChem CID3660828
Molecular FormulaC25H21N3O2S
Molecular Weight427.53 g/mol
Exact Mass427.14
IUPAC NameN-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide
SMILESO=S(=O)(NN=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C25H21N3O2S/c29-31(30,25-14-8-3-9-15-25)27-26-20-21-16-18-24(19-17-21)28(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-20,27H
InChIKeyZUHQOCZJUJEJRY-UHFFFAOYSA-N
XLogP5.47
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.53
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(dimethylamino)phenyl]methylideneamino]benzenesulfonamide
CID 872082
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzenesulfonamide
CID 5335146
N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 135641596
N-[(Z)-(4-methylphenyl)methylideneamino]benzenesulfonamide
CID 5387407
2,5-dimethyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide
CID 5171617
4-[(E)-[[4-(benzenesulfonyl)phenyl]hydrazinylidene]methyl]-N,N-bis[4-[(E)-[[4-(benzenesulfonyl)phenyl]hydrazinylidene]methyl]phenyl]aniline
CID 177485255
N-[(Z)-benzylideneamino]-4-[2-[4-[[(Z)-benzylideneamino]sulfamoyl]phenyl]ethyl]benzenesulfonamide
CID 125114108
N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-bromobenzenesulfonamide
CID 4237783
4-methyl-N-[(E)-[4-[(E)-2-phenylethenyl]phenyl]methylideneamino]benzenesulfonamide
CID 162516902
[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenyl] benzoate
CID 6164119
N-[(3-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 2692691
N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-ethoxybenzenesulfonamide
CID 110516650

Frequently Asked Questions

What is the IUPAC name of N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide?
The IUPAC name of N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide (CID 3660828) is N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide?
The canonical SMILES for N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide is O=S(=O)(NN=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide?
The InChIKey is ZUHQOCZJUJEJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2S/c29-31(30,25-14-8-3-9-15-25)27-26-20-21-16-18-24(19-17-21)28(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-20,27H.
What are the key properties of N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide?
N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide has a molecular weight of 427.53 g/mol, XLogP of 5.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide is sourced from PubChem (CID 3660828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).