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

C15H17N3O2S — CID 872082

IUPACN-[[4-(dimethylamino)phenyl]methylideneamino]benzenesulfonamide
SMILESCN(C)c1ccc(C=NNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H17N3O2S/c1-18(2)14-10-8-13(9-11-14)12-16-17-21(19,20)15-6-4-3-5-7-15/h3-12,17H,1-2H3
InChIKeyVWMSCMNWTCJRFZ-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.07
Rot. Bonds5

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

N-[[4-(dimethylamino)phenyl]methylideneamino]benzenesulfonamide (PubChem CID 872082) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methylideneamino]benzenesulfonamide
PubChem CID872082
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-[[4-(dimethylamino)phenyl]methylideneamino]benzenesulfonamide
SMILESCN(C)c1ccc(C=NNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H17N3O2S/c1-18(2)14-10-8-13(9-11-14)12-16-17-21(19,20)15-6-4-3-5-7-15/h3-12,17H,1-2H3
InChIKeyVWMSCMNWTCJRFZ-UHFFFAOYSA-N
XLogP2.07
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.07
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-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide
CID 3660828
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzenesulfonamide
CID 5335146
N-[(Z)-(4-methylphenyl)methylideneamino]benzenesulfonamide
CID 5387407
N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 135641596
4-(benzenesulfonamido)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]benzamide
CID 6283870
4-methyl-N-[(E)-[4-[(E)-2-phenylethenyl]phenyl]methylideneamino]benzenesulfonamide
CID 162516902
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
N-[[4-(dimethylamino)phenyl]methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 2094275
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 6892737
[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenyl] benzoate
CID 6164119
N-[[4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
CID 1001906

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methylideneamino]benzenesulfonamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methylideneamino]benzenesulfonamide (CID 872082) is N-[[4-(dimethylamino)phenyl]methylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methylideneamino]benzenesulfonamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methylideneamino]benzenesulfonamide is CN(C)c1ccc(C=NNS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methylideneamino]benzenesulfonamide?
The InChIKey is VWMSCMNWTCJRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-18(2)14-10-8-13(9-11-14)12-16-17-21(19,20)15-6-4-3-5-7-15/h3-12,17H,1-2H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methylideneamino]benzenesulfonamide?
N-[[4-(dimethylamino)phenyl]methylideneamino]benzenesulfonamide has a molecular weight of 303.39 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methylideneamino]benzenesulfonamide is sourced from PubChem (CID 872082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).