(3Z)-N-(4-chlorophenyl)-3-(naphthalen-2-ylsulfonylhydrazinylidene)butanamide

C20H18ClN3O3S — CID 6033655

IUPAC(3Z)-N-(4-chlorophenyl)-3-(naphthalen-2-ylsulfonylhydrazinylidene)butanamide
SMILESC/C(CC(=O)Nc1ccc(Cl)cc1)=N/NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H18ClN3O3S/c1-14(12-20(25)22-18-9-7-17(21)8-10-18)23-24-28(26,27)19-11-6-15-4-2-3-5-16(15)13-19/h2-11,13,24H,12H2,1H3,(H,22,25)/b23-14-
InChIKeyNLAKTZGVZBPKTH-UCQKPKSFSA-N
MW415.90 g/mol
LogP4.18
Rot. Bonds6

About (3Z)-N-(4-chlorophenyl)-3-(naphthalen-2-ylsulfonylhydrazinylidene)butanamide

(3Z)-N-(4-chlorophenyl)-3-(naphthalen-2-ylsulfonylhydrazinylidene)butanamide (PubChem CID 6033655) has the molecular formula C20H18ClN3O3S and a molecular weight of 415.90 g/mol. Its IUPAC name is (3Z)-N-(4-chlorophenyl)-3-(naphthalen-2-ylsulfonylhydrazinylidene)butanamide.

Molecular Properties

Compound Name(3Z)-N-(4-chlorophenyl)-3-(naphthalen-2-ylsulfonylhydrazinylidene)butanamide
PubChem CID6033655
Molecular FormulaC20H18ClN3O3S
Molecular Weight415.90 g/mol
Exact Mass415.08
IUPAC Name(3Z)-N-(4-chlorophenyl)-3-(naphthalen-2-ylsulfonylhydrazinylidene)butanamide
SMILESC/C(CC(=O)Nc1ccc(Cl)cc1)=N/NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H18ClN3O3S/c1-14(12-20(25)22-18-9-7-17(21)8-10-18)23-24-28(26,27)19-11-6-15-4-2-3-5-16(15)13-19/h2-11,13,24H,12H2,1H3,(H,22,25)/b23-14-
InChIKeyNLAKTZGVZBPKTH-UCQKPKSFSA-N
XLogP4.18
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 54.18
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)-3-[(4-tert-butylphenyl)sulfonylhydrazinylidene]-N-(4-chlorophenyl)butanamide
CID 7241806
3-(4-chlorophenyl)sulfonyl-N-naphthalen-2-ylpropanamide
CID 2902895
N-[4-[N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-2-(4-chlorophenoxy)acetamide
CID 1004876
(3E)-3-(carbamoylhydrazinylidene)-N-(4-chlorophenyl)butanamide
CID 6091907
3-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]-N-naphthalen-2-ylbutanamide
CID 5067981
(3Z)-3-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-N-phenylbutanamide
CID 6387241
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-naphthalen-2-ylacetamide
CID 126139039
N-[4-(dimethylamino)phenyl]-2-naphthalen-2-ylsulfonylacetamide
CID 3938895
3-(naphthalen-2-ylsulfonylamino)-N-phenylpropanamide
CID 9340894
3-chloro-N-[(Z)-[4-(naphthalen-2-ylamino)-4-oxobutan-2-ylidene]amino]-4-nitrobenzamide
CID 98155821
N-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 4560101
N-(4-methylsulfanylphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 9179638

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-(4-chlorophenyl)-3-(naphthalen-2-ylsulfonylhydrazinylidene)butanamide?
The IUPAC name of (3Z)-N-(4-chlorophenyl)-3-(naphthalen-2-ylsulfonylhydrazinylidene)butanamide (CID 6033655) is (3Z)-N-(4-chlorophenyl)-3-(naphthalen-2-ylsulfonylhydrazinylidene)butanamide.
What is the SMILES notation for (3Z)-N-(4-chlorophenyl)-3-(naphthalen-2-ylsulfonylhydrazinylidene)butanamide?
The canonical SMILES for (3Z)-N-(4-chlorophenyl)-3-(naphthalen-2-ylsulfonylhydrazinylidene)butanamide is C/C(CC(=O)Nc1ccc(Cl)cc1)=N/NS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of (3Z)-N-(4-chlorophenyl)-3-(naphthalen-2-ylsulfonylhydrazinylidene)butanamide?
The InChIKey is NLAKTZGVZBPKTH-UCQKPKSFSA-N. The full InChI is InChI=1S/C20H18ClN3O3S/c1-14(12-20(25)22-18-9-7-17(21)8-10-18)23-24-28(26,27)19-11-6-15-4-2-3-5-16(15)13-19/h2-11,13,24H,12H2,1H3,(H,22,25)/b23-14-.
What are the key properties of (3Z)-N-(4-chlorophenyl)-3-(naphthalen-2-ylsulfonylhydrazinylidene)butanamide?
(3Z)-N-(4-chlorophenyl)-3-(naphthalen-2-ylsulfonylhydrazinylidene)butanamide has a molecular weight of 415.90 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-(4-chlorophenyl)-3-(naphthalen-2-ylsulfonylhydrazinylidene)butanamide is sourced from PubChem (CID 6033655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).