2-(benzenesulfonamido)-N-[(Z)-1-(4-chlorophenyl)butylideneamino]acetamide

C18H20ClN3O3S — CID 9237180

IUPAC2-(benzenesulfonamido)-N-[(Z)-1-(4-chlorophenyl)butylideneamino]acetamide
SMILESCCC/C(=N/NC(=O)CNS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3O3S/c1-2-6-17(14-9-11-15(19)12-10-14)21-22-18(23)13-20-26(24,25)16-7-4-3-5-8-16/h3-5,7-12,20H,2,6,13H2,1H3,(H,22,23)/b21-17-
InChIKeyZUNQEDSRYCCFJC-FXBPSFAMSA-N
MW393.90 g/mol
LogP2.94
Rot. Bonds8

About 2-(benzenesulfonamido)-N-[(Z)-1-(4-chlorophenyl)butylideneamino]acetamide

2-(benzenesulfonamido)-N-[(Z)-1-(4-chlorophenyl)butylideneamino]acetamide (PubChem CID 9237180) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-[(Z)-1-(4-chlorophenyl)butylideneamino]acetamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-[(Z)-1-(4-chlorophenyl)butylideneamino]acetamide
PubChem CID9237180
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC Name2-(benzenesulfonamido)-N-[(Z)-1-(4-chlorophenyl)butylideneamino]acetamide
SMILESCCC/C(=N/NC(=O)CNS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3O3S/c1-2-6-17(14-9-11-15(19)12-10-14)21-22-18(23)13-20-26(24,25)16-7-4-3-5-8-16/h3-5,7-12,20H,2,6,13H2,1H3,(H,22,23)/b21-17-
InChIKeyZUNQEDSRYCCFJC-FXBPSFAMSA-N
XLogP2.94
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 52.94
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'}

Analyze 2-(benzenesulfonamido)-N-[(Z)-1-(4-chlorophenyl)butylideneamino]acetamide 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

[(Z)-1-(4-chlorophenyl)butylideneamino]urea
CID 8971834
2-(benzenesulfonamido)-N-[(Z)-1-(3-chlorophenyl)ethylideneamino]acetamide
CID 9236360
2-(benzenesulfonamido)-N-[(Z)-1-(4-propan-2-ylphenyl)ethylideneamino]acetamide
CID 9237631
2-(benzenesulfonamido)-N-[(Z)-2-methylpentan-3-ylideneamino]acetamide
CID 9236234
N-[1-(4-chlorophenyl)propylideneamino]benzenesulfonamide
CID 840428
2-(benzenesulfonamido)-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]acetamide
CID 9236552
2-(benzenesulfonamido)-N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]acetamide
CID 135557531
2-(benzenesulfonamido)-N-[(Z)-1-(furan-2-yl)ethylideneamino]acetamide
CID 9236586
2-[(4-butanoylphenyl)sulfonylamino]acetic acid
CID 82164610
N-[(E)-1-(4-chlorophenyl)propylideneamino]hexanamide
CID 6029977
[4-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-chlorobenzoate
CID 6244389
2-(4-chlorophenyl)-N-[(E)-1-phenylpropylideneamino]acetamide
CID 6390102

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-[(Z)-1-(4-chlorophenyl)butylideneamino]acetamide?
The IUPAC name of 2-(benzenesulfonamido)-N-[(Z)-1-(4-chlorophenyl)butylideneamino]acetamide (CID 9237180) is 2-(benzenesulfonamido)-N-[(Z)-1-(4-chlorophenyl)butylideneamino]acetamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-[(Z)-1-(4-chlorophenyl)butylideneamino]acetamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-[(Z)-1-(4-chlorophenyl)butylideneamino]acetamide is CCC/C(=N/NC(=O)CNS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(benzenesulfonamido)-N-[(Z)-1-(4-chlorophenyl)butylideneamino]acetamide?
The InChIKey is ZUNQEDSRYCCFJC-FXBPSFAMSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c1-2-6-17(14-9-11-15(19)12-10-14)21-22-18(23)13-20-26(24,25)16-7-4-3-5-8-16/h3-5,7-12,20H,2,6,13H2,1H3,(H,22,23)/b21-17-.
What are the key properties of 2-(benzenesulfonamido)-N-[(Z)-1-(4-chlorophenyl)butylideneamino]acetamide?
2-(benzenesulfonamido)-N-[(Z)-1-(4-chlorophenyl)butylideneamino]acetamide has a molecular weight of 393.90 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-[(Z)-1-(4-chlorophenyl)butylideneamino]acetamide is sourced from PubChem (CID 9237180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).