(3Z)-3-[(4-tert-butylphenyl)sulfonylhydrazinylidene]-N-(4-chlorophenyl)butanamide

C20H24ClN3O3S — CID 7241806

IUPAC(3Z)-3-[(4-tert-butylphenyl)sulfonylhydrazinylidene]-N-(4-chlorophenyl)butanamide
SMILESC/C(CC(=O)Nc1ccc(Cl)cc1)=N/NS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H24ClN3O3S/c1-14(13-19(25)22-17-9-7-16(21)8-10-17)23-24-28(26,27)18-11-5-15(6-12-18)20(2,3)4/h5-12,24H,13H2,1-4H3,(H,22,25)/b23-14-
InChIKeyHKIOPJLLFYCNEJ-UCQKPKSFSA-N
MW421.95 g/mol
LogP4.32
Rot. Bonds6

About (3Z)-3-[(4-tert-butylphenyl)sulfonylhydrazinylidene]-N-(4-chlorophenyl)butanamide

(3Z)-3-[(4-tert-butylphenyl)sulfonylhydrazinylidene]-N-(4-chlorophenyl)butanamide (PubChem CID 7241806) has the molecular formula C20H24ClN3O3S and a molecular weight of 421.95 g/mol. Its IUPAC name is (3Z)-3-[(4-tert-butylphenyl)sulfonylhydrazinylidene]-N-(4-chlorophenyl)butanamide.

Molecular Properties

Compound Name(3Z)-3-[(4-tert-butylphenyl)sulfonylhydrazinylidene]-N-(4-chlorophenyl)butanamide
PubChem CID7241806
Molecular FormulaC20H24ClN3O3S
Molecular Weight421.95 g/mol
Exact Mass421.12
IUPAC Name(3Z)-3-[(4-tert-butylphenyl)sulfonylhydrazinylidene]-N-(4-chlorophenyl)butanamide
SMILESC/C(CC(=O)Nc1ccc(Cl)cc1)=N/NS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H24ClN3O3S/c1-14(13-19(25)22-17-9-7-16(21)8-10-17)23-24-28(26,27)18-11-5-15(6-12-18)20(2,3)4/h5-12,24H,13H2,1-4H3,(H,22,25)/b23-14-
InChIKeyHKIOPJLLFYCNEJ-UCQKPKSFSA-N
XLogP4.32
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.95
LogP ≤ 54.32
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

(3Z)-N-(4-chlorophenyl)-3-(naphthalen-2-ylsulfonylhydrazinylidene)butanamide
CID 6033655
(3E)-3-(carbamoylhydrazinylidene)-N-(4-chlorophenyl)butanamide
CID 6091907
4-chloro-N-[4-[(Z)-C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]benzamide
CID 6287230
ethyl (3Z)-3-[(4-acetamidophenyl)sulfonylhydrazinylidene]butanoate
CID 5354737
3-(4-tert-butylphenyl)-N-(4-chlorophenyl)propanamide
CID 19221191
N-[[4-(4-bromoanilino)-4-oxobutan-2-ylidene]amino]-4-chlorobenzamide
CID 3481558
2-[(4-tert-butylphenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]acetamide
CID 110601053
N-[4-[N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-2-(4-chlorophenoxy)acetamide
CID 1004876
N-(4-acetylphenyl)-2-[(4-chlorophenyl)sulfonylamino]acetamide
CID 112999628
2-[(4-tert-butylphenyl)sulfonylamino]-N-(4-cyanophenyl)acetamide
CID 113002113
N-(4-tert-butylphenyl)-2-[(4-chloro-3-methylphenyl)sulfonylamino]acetamide
CID 112997620
N-(4-tert-butylphenyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]acetamide
CID 112997610

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(4-tert-butylphenyl)sulfonylhydrazinylidene]-N-(4-chlorophenyl)butanamide?
The IUPAC name of (3Z)-3-[(4-tert-butylphenyl)sulfonylhydrazinylidene]-N-(4-chlorophenyl)butanamide (CID 7241806) is (3Z)-3-[(4-tert-butylphenyl)sulfonylhydrazinylidene]-N-(4-chlorophenyl)butanamide.
What is the SMILES notation for (3Z)-3-[(4-tert-butylphenyl)sulfonylhydrazinylidene]-N-(4-chlorophenyl)butanamide?
The canonical SMILES for (3Z)-3-[(4-tert-butylphenyl)sulfonylhydrazinylidene]-N-(4-chlorophenyl)butanamide is C/C(CC(=O)Nc1ccc(Cl)cc1)=N/NS(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (3Z)-3-[(4-tert-butylphenyl)sulfonylhydrazinylidene]-N-(4-chlorophenyl)butanamide?
The InChIKey is HKIOPJLLFYCNEJ-UCQKPKSFSA-N. The full InChI is InChI=1S/C20H24ClN3O3S/c1-14(13-19(25)22-17-9-7-16(21)8-10-17)23-24-28(26,27)18-11-5-15(6-12-18)20(2,3)4/h5-12,24H,13H2,1-4H3,(H,22,25)/b23-14-.
What are the key properties of (3Z)-3-[(4-tert-butylphenyl)sulfonylhydrazinylidene]-N-(4-chlorophenyl)butanamide?
(3Z)-3-[(4-tert-butylphenyl)sulfonylhydrazinylidene]-N-(4-chlorophenyl)butanamide has a molecular weight of 421.95 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(4-tert-butylphenyl)sulfonylhydrazinylidene]-N-(4-chlorophenyl)butanamide is sourced from PubChem (CID 7241806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).