N-[1-(4-chlorophenyl)propylideneamino]benzenesulfonamide

C15H15ClN2O2S — CID 840428

IUPACN-[1-(4-chlorophenyl)propylideneamino]benzenesulfonamide
SMILESCCC(=NNS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O2S/c1-2-15(12-8-10-13(16)11-9-12)17-18-21(19,20)14-6-4-3-5-7-14/h3-11,18H,2H2,1H3
InChIKeyWWAFKKCRPXQKEC-UHFFFAOYSA-N
MW322.82 g/mol
LogP3.43
Rot. Bonds5

About N-[1-(4-chlorophenyl)propylideneamino]benzenesulfonamide

N-[1-(4-chlorophenyl)propylideneamino]benzenesulfonamide (PubChem CID 840428) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propylideneamino]benzenesulfonamide
PubChem CID840428
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC NameN-[1-(4-chlorophenyl)propylideneamino]benzenesulfonamide
SMILESCCC(=NNS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O2S/c1-2-15(12-8-10-13(16)11-9-12)17-18-21(19,20)14-6-4-3-5-7-14/h3-11,18H,2H2,1H3
InChIKeyWWAFKKCRPXQKEC-UHFFFAOYSA-N
XLogP3.43
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(4-chlorophenyl)propylideneamino]benzenesulfonamide 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-methyl-N-[(E)-1-phenylpropylideneamino]benzenesulfonamide
CID 6374388
4-chloro-N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]benzenesulfonamide
CID 136668780
4-amino-N-[(Z)-1-phenylpropylideneamino]benzenesulfonamide
CID 5354741
2-(4-chlorophenyl)-N-[(E)-1-phenylpropylideneamino]acetamide
CID 6390102
N-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide
CID 6011612
2-(benzenesulfonamido)-N-[(Z)-1-(4-chlorophenyl)butylideneamino]acetamide
CID 9237180
N'-(benzenesulfonamido)-2-(4-chlorophenoxy)ethanimidamide
CID 3265581
N-[bis(4-methylphenyl)methylideneamino]-4-chlorobenzenesulfonamide
CID 139198570
N-[(E)-1,2-diphenylethylideneamino]-4-methylbenzenesulfonamide
CID 6370396
N-[1-(4-chlorophenyl)propylideneamino]-2-hydroxybenzamide
CID 4608756
N-[(Z)-[2-azido-1-(4-phenyldiazenylphenyl)ethylidene]amino]benzenesulfonamide
CID 135052091
N-[1-(4-phenylphenyl)ethylideneamino]benzenesulfonamide
CID 4640439

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propylideneamino]benzenesulfonamide?
The IUPAC name of N-[1-(4-chlorophenyl)propylideneamino]benzenesulfonamide (CID 840428) is N-[1-(4-chlorophenyl)propylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)propylideneamino]benzenesulfonamide?
The canonical SMILES for N-[1-(4-chlorophenyl)propylideneamino]benzenesulfonamide is CCC(=NNS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)propylideneamino]benzenesulfonamide?
The InChIKey is WWAFKKCRPXQKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c1-2-15(12-8-10-13(16)11-9-12)17-18-21(19,20)14-6-4-3-5-7-14/h3-11,18H,2H2,1H3.
What are the key properties of N-[1-(4-chlorophenyl)propylideneamino]benzenesulfonamide?
N-[1-(4-chlorophenyl)propylideneamino]benzenesulfonamide has a molecular weight of 322.82 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propylideneamino]benzenesulfonamide is sourced from PubChem (CID 840428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).