4-[(2E)-2-[1-(3,4-dichlorophenyl)propylidene]hydrazinyl]benzenesulfonamide

C15H15Cl2N3O2S — CID 55355098

IUPAC4-[(2E)-2-[1-(3,4-dichlorophenyl)propylidene]hydrazinyl]benzenesulfonamide
SMILESCC/C(=N\Nc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H15Cl2N3O2S/c1-2-15(10-3-8-13(16)14(17)9-10)20-19-11-4-6-12(7-5-11)23(18,21)22/h3-9,19H,2H2,1H3,(H2,18,21,22)/b20-15+
InChIKeyBVFJMDOKBOLWBU-HMMYKYKNSA-N
MW372.28 g/mol
LogP3.87
Rot. Bonds5

About 4-[(2E)-2-[1-(3,4-dichlorophenyl)propylidene]hydrazinyl]benzenesulfonamide

4-[(2E)-2-[1-(3,4-dichlorophenyl)propylidene]hydrazinyl]benzenesulfonamide (PubChem CID 55355098) has the molecular formula C15H15Cl2N3O2S and a molecular weight of 372.28 g/mol. Its IUPAC name is 4-[(2E)-2-[1-(3,4-dichlorophenyl)propylidene]hydrazinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2E)-2-[1-(3,4-dichlorophenyl)propylidene]hydrazinyl]benzenesulfonamide
PubChem CID55355098
Molecular FormulaC15H15Cl2N3O2S
Molecular Weight372.28 g/mol
Exact Mass371.03
IUPAC Name4-[(2E)-2-[1-(3,4-dichlorophenyl)propylidene]hydrazinyl]benzenesulfonamide
SMILESCC/C(=N\Nc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H15Cl2N3O2S/c1-2-15(10-3-8-13(16)14(17)9-10)20-19-11-4-6-12(7-5-11)23(18,21)22/h3-9,19H,2H2,1H3,(H2,18,21,22)/b20-15+
InChIKeyBVFJMDOKBOLWBU-HMMYKYKNSA-N
XLogP3.87
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.28
LogP ≤ 53.87
H-Bond Donors ≤ 52
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

4-[(2Z)-2-[1-(4-chlorophenyl)-3-(dimethylamino)propylidene]hydrazinyl]benzenesulfonamide
CID 124926686
4-[(2E)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]benzenesulfonamide
CID 7066751
1-[(3,4-dichlorophenyl)methyl]-3-(4-sulfamoylphenyl)thiourea
CID 19649416
4-[(Z)-N-(3,4-dichloroanilino)-C-methylcarbonimidoyl]-N-methylbenzenesulfonamide
CID 9058961
3-chloro-N-[(Z)-1-(4-fluorophenyl)propylideneamino]-4-methylaniline
CID 7612601
4-[(E)-C-ethyl-N-(4-nitroanilino)carbonimidoyl]-2-methylphenol
CID 135683117
3,4-dichloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide
CID 4256209
3-[(E)-C-ethyl-N-(4-sulfamoylanilino)carbonimidoyl]-5-fluoro-1H-indole-2-carboxamide
CID 142965881
4-[[3-(3,4-dichlorophenyl)-1-(4-nitrophenyl)-3-oxopropyl]amino]benzenesulfonamide
CID 141204389
4-[(2E)-2-[1-(3-aminophenyl)ethylidene]hydrazinyl]benzenesulfonamide
CID 18282586
[3-(3,4-dichlorophenyl)-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl] propanoate
CID 67595103
1-(3,4-dichlorophenyl)-3-[(4-sulfamoylphenyl)methylcarbamothioyl]urea
CID 5470531

Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-2-[1-(3,4-dichlorophenyl)propylidene]hydrazinyl]benzenesulfonamide?
The IUPAC name of 4-[(2E)-2-[1-(3,4-dichlorophenyl)propylidene]hydrazinyl]benzenesulfonamide (CID 55355098) is 4-[(2E)-2-[1-(3,4-dichlorophenyl)propylidene]hydrazinyl]benzenesulfonamide.
What is the SMILES notation for 4-[(2E)-2-[1-(3,4-dichlorophenyl)propylidene]hydrazinyl]benzenesulfonamide?
The canonical SMILES for 4-[(2E)-2-[1-(3,4-dichlorophenyl)propylidene]hydrazinyl]benzenesulfonamide is CC/C(=N\Nc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-[(2E)-2-[1-(3,4-dichlorophenyl)propylidene]hydrazinyl]benzenesulfonamide?
The InChIKey is BVFJMDOKBOLWBU-HMMYKYKNSA-N. The full InChI is InChI=1S/C15H15Cl2N3O2S/c1-2-15(10-3-8-13(16)14(17)9-10)20-19-11-4-6-12(7-5-11)23(18,21)22/h3-9,19H,2H2,1H3,(H2,18,21,22)/b20-15+.
What are the key properties of 4-[(2E)-2-[1-(3,4-dichlorophenyl)propylidene]hydrazinyl]benzenesulfonamide?
4-[(2E)-2-[1-(3,4-dichlorophenyl)propylidene]hydrazinyl]benzenesulfonamide has a molecular weight of 372.28 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-2-[1-(3,4-dichlorophenyl)propylidene]hydrazinyl]benzenesulfonamide is sourced from PubChem (CID 55355098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).