N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzenesulfonamide

C17H21N3O2S — CID 5335146

IUPACN-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzenesulfonamide
SMILESCCN(CC)c1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H21N3O2S/c1-3-20(4-2)16-12-10-15(11-13-16)14-18-19-23(21,22)17-8-6-5-7-9-17/h5-14,19H,3-4H2,1-2H3/b18-14+
InChIKeyUWHPKEFYWVNAPO-NBVRZTHBSA-N
MW331.44 g/mol
LogP2.85
Rot. Bonds7

About N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzenesulfonamide

N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzenesulfonamide (PubChem CID 5335146) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzenesulfonamide
PubChem CID5335146
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzenesulfonamide
SMILESCCN(CC)c1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H21N3O2S/c1-3-20(4-2)16-12-10-15(11-13-16)14-18-19-23(21,22)17-8-6-5-7-9-17/h5-14,19H,3-4H2,1-2H3/b18-14+
InChIKeyUWHPKEFYWVNAPO-NBVRZTHBSA-N
XLogP2.85
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.85
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-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide
CID 3660828
N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-bromobenzenesulfonamide
CID 4237783
N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-ethoxybenzenesulfonamide
CID 110516650
N-[(Z)-(4-methylphenyl)methylideneamino]benzenesulfonamide
CID 5387407
N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 135641596
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylacetamide
CID 5404499
4-[benzenesulfonyl(methyl)amino]-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 43878814
N-[(Z)-benzylideneamino]-4-[2-[4-[[(Z)-benzylideneamino]sulfamoyl]phenyl]ethyl]benzenesulfonamide
CID 125114108
4-methyl-N-[(E)-[4-[(E)-2-phenylethenyl]phenyl]methylideneamino]benzenesulfonamide
CID 162516902
2-N,3-N-bis[[4-(diethylamino)phenyl]methylideneamino]quinoxaline-2,3-diamine
CID 3339070
1,3-bis[(E)-[4-(diethylamino)phenyl]methylideneamino]urea
CID 5335044

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzenesulfonamide?
The IUPAC name of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzenesulfonamide (CID 5335146) is N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzenesulfonamide is CCN(CC)c1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzenesulfonamide?
The InChIKey is UWHPKEFYWVNAPO-NBVRZTHBSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-3-20(4-2)16-12-10-15(11-13-16)14-18-19-23(21,22)17-8-6-5-7-9-17/h5-14,19H,3-4H2,1-2H3/b18-14+.
What are the key properties of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzenesulfonamide?
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzenesulfonamide has a molecular weight of 331.44 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzenesulfonamide is sourced from PubChem (CID 5335146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).