4-amino-N-[(Z)-1-phenylpropylideneamino]benzenesulfonamide

C15H17N3O2S — CID 5354741

IUPAC4-amino-N-[(Z)-1-phenylpropylideneamino]benzenesulfonamide
SMILESCC/C(=N/NS(=O)(=O)c1ccc(N)cc1)c1ccccc1
InChIInChI=1S/C15H17N3O2S/c1-2-15(12-6-4-3-5-7-12)17-18-21(19,20)14-10-8-13(16)9-11-14/h3-11,18H,2,16H2,1H3/b17-15-
InChIKeyDXZIIMUVOPKBGA-ICFOKQHNSA-N
MW303.39 g/mol
LogP2.36
Rot. Bonds5

About 4-amino-N-[(Z)-1-phenylpropylideneamino]benzenesulfonamide

4-amino-N-[(Z)-1-phenylpropylideneamino]benzenesulfonamide (PubChem CID 5354741) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 4-amino-N-[(Z)-1-phenylpropylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[(Z)-1-phenylpropylideneamino]benzenesulfonamide
PubChem CID5354741
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name4-amino-N-[(Z)-1-phenylpropylideneamino]benzenesulfonamide
SMILESCC/C(=N/NS(=O)(=O)c1ccc(N)cc1)c1ccccc1
InChIInChI=1S/C15H17N3O2S/c1-2-15(12-6-4-3-5-7-12)17-18-21(19,20)14-10-8-13(16)9-11-14/h3-11,18H,2,16H2,1H3/b17-15-
InChIKeyDXZIIMUVOPKBGA-ICFOKQHNSA-N
XLogP2.36
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-N-[(Z)-1-phenylpropylideneamino]benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(Z)-1-phenylpropylideneamino]benzenesulfonamide?
The IUPAC name of 4-amino-N-[(Z)-1-phenylpropylideneamino]benzenesulfonamide (CID 5354741) is 4-amino-N-[(Z)-1-phenylpropylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[(Z)-1-phenylpropylideneamino]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[(Z)-1-phenylpropylideneamino]benzenesulfonamide is CC/C(=N/NS(=O)(=O)c1ccc(N)cc1)c1ccccc1.
What is the InChIKey of 4-amino-N-[(Z)-1-phenylpropylideneamino]benzenesulfonamide?
The InChIKey is DXZIIMUVOPKBGA-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-2-15(12-6-4-3-5-7-12)17-18-21(19,20)14-10-8-13(16)9-11-14/h3-11,18H,2,16H2,1H3/b17-15-.
What are the key properties of 4-amino-N-[(Z)-1-phenylpropylideneamino]benzenesulfonamide?
4-amino-N-[(Z)-1-phenylpropylideneamino]benzenesulfonamide has a molecular weight of 303.39 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(Z)-1-phenylpropylideneamino]benzenesulfonamide is sourced from PubChem (CID 5354741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).