N-[4-[(4-cyanophenyl)methylideneamino]phenyl]sulfonylacetamide

C16H13N3O3S — CID 932395

IUPACN-[4-[(4-cyanophenyl)methylideneamino]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(/N=C/c2ccc(C#N)cc2)cc1
InChIInChI=1S/C16H13N3O3S/c1-12(20)19-23(21,22)16-8-6-15(7-9-16)18-11-14-4-2-13(10-17)3-5-14/h2-9,11H,1H3,(H,19,20)/b18-11+
InChIKeyLKXUPRBXITUFCH-WOJGMQOQSA-N
MW327.37 g/mol
LogP2.13
Rot. Bonds4

About N-[4-[(4-cyanophenyl)methylideneamino]phenyl]sulfonylacetamide

N-[4-[(4-cyanophenyl)methylideneamino]phenyl]sulfonylacetamide (PubChem CID 932395) has the molecular formula C16H13N3O3S and a molecular weight of 327.37 g/mol. Its IUPAC name is N-[4-[(4-cyanophenyl)methylideneamino]phenyl]sulfonylacetamide.

Molecular Properties

Compound NameN-[4-[(4-cyanophenyl)methylideneamino]phenyl]sulfonylacetamide
PubChem CID932395
Molecular FormulaC16H13N3O3S
Molecular Weight327.37 g/mol
Exact Mass327.07
IUPAC NameN-[4-[(4-cyanophenyl)methylideneamino]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(/N=C/c2ccc(C#N)cc2)cc1
InChIInChI=1S/C16H13N3O3S/c1-12(20)19-23(21,22)16-8-6-15(7-9-16)18-11-14-4-2-13(10-17)3-5-14/h2-9,11H,1H3,(H,19,20)/b18-11+
InChIKeyLKXUPRBXITUFCH-WOJGMQOQSA-N
XLogP2.13
TPSA99.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[(4-cyanophenyl)methylideneamino]phenyl]sulfonylacetamide 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-(Benzylideneamino)benzenesulfonamide
CID 308405
N-(4-Methylbenzylidene)-4-sulfamoylaniline
CID 690836
N-[4-[[(E)-benzylideneamino]sulfamoyl]phenyl]acetamide
CID 6473970
4-(4-Tert-butylbenzylideneamino)benzenesulfonamide
CID 45483195
N-[4-[[(Z)-benzylideneamino]sulfamoyl]phenyl]acetamide
CID 5354951
N-[4-[(4-sulfamoylphenyl)iminomethyl]phenyl]acetamide
CID 46881306
4-{[(e)-(4-Cyanophenyl)methylidene]amino}benzenesulfonamide
CID 717781
Benzal-p-aminobenzenesulfonamide
CID 23907468
N-(4-((2-(4-Methylbenzylidene)hydrazino)sulfonyl)phenyl)acetamide
CID 9561099
4-((4-Isopropylbenzylidene)amino)benzenesulfonamide
CID 724586
Acetic acid;4-(benzylideneamino)benzenesulfonamide;palladium
CID 139241988
N-[4-[(4-fluorophenyl)methylideneamino]phenyl]sulfonylacetamide
CID 932431

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-cyanophenyl)methylideneamino]phenyl]sulfonylacetamide?
The IUPAC name of N-[4-[(4-cyanophenyl)methylideneamino]phenyl]sulfonylacetamide (CID 932395) is N-[4-[(4-cyanophenyl)methylideneamino]phenyl]sulfonylacetamide.
What is the SMILES notation for N-[4-[(4-cyanophenyl)methylideneamino]phenyl]sulfonylacetamide?
The canonical SMILES for N-[4-[(4-cyanophenyl)methylideneamino]phenyl]sulfonylacetamide is CC(=O)NS(=O)(=O)c1ccc(/N=C/c2ccc(C#N)cc2)cc1.
What is the InChIKey of N-[4-[(4-cyanophenyl)methylideneamino]phenyl]sulfonylacetamide?
The InChIKey is LKXUPRBXITUFCH-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H13N3O3S/c1-12(20)19-23(21,22)16-8-6-15(7-9-16)18-11-14-4-2-13(10-17)3-5-14/h2-9,11H,1H3,(H,19,20)/b18-11+.
What are the key properties of N-[4-[(4-cyanophenyl)methylideneamino]phenyl]sulfonylacetamide?
N-[4-[(4-cyanophenyl)methylideneamino]phenyl]sulfonylacetamide has a molecular weight of 327.37 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-cyanophenyl)methylideneamino]phenyl]sulfonylacetamide is sourced from PubChem (CID 932395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).