(1Z)-1-(benzenesulfonyl)-1-[(2-methoxyphenyl)hydrazinylidene]propan-2-one

C16H16N2O4S — CID 6521294

IUPAC(1Z)-1-(benzenesulfonyl)-1-[(2-methoxyphenyl)hydrazinylidene]propan-2-one
SMILESCOc1ccccc1N/N=C(/C(C)=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16N2O4S/c1-12(19)16(23(20,21)13-8-4-3-5-9-13)18-17-14-10-6-7-11-15(14)22-2/h3-11,17H,1-2H3/b18-16-
InChIKeyGNZHSTMGAMORJF-VLGSPTGOSA-N
MW332.38 g/mol
LogP2.48
Rot. Bonds5

About (1Z)-1-(benzenesulfonyl)-1-[(2-methoxyphenyl)hydrazinylidene]propan-2-one

(1Z)-1-(benzenesulfonyl)-1-[(2-methoxyphenyl)hydrazinylidene]propan-2-one (PubChem CID 6521294) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is (1Z)-1-(benzenesulfonyl)-1-[(2-methoxyphenyl)hydrazinylidene]propan-2-one.

Molecular Properties

Compound Name(1Z)-1-(benzenesulfonyl)-1-[(2-methoxyphenyl)hydrazinylidene]propan-2-one
PubChem CID6521294
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name(1Z)-1-(benzenesulfonyl)-1-[(2-methoxyphenyl)hydrazinylidene]propan-2-one
SMILESCOc1ccccc1N/N=C(/C(C)=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16N2O4S/c1-12(19)16(23(20,21)13-8-4-3-5-9-13)18-17-14-10-6-7-11-15(14)22-2/h3-11,17H,1-2H3/b18-16-
InChIKeyGNZHSTMGAMORJF-VLGSPTGOSA-N
XLogP2.48
TPSA84.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1E)-1-[(2-methoxyphenyl)hydrazinylidene]-1,3-bis-(4-methylphenyl)sulfonylpropan-2-one
CID 5453114
(2Z)-2-(benzenesulfonyl)-2-[(5-chloro-2-methoxyphenyl)hydrazinylidene]acetohydrazide
CID 21176413
ethyl 2-[(2-methoxyphenyl)hydrazinylidene]propanoate
CID 85436397
2-methoxy-N-(pentan-3-ylideneamino)aniline
CID 154461263
2-methoxy-N-(1-phenylpropylideneamino)aniline
CID 4990913
2-methoxy-N-[(E)-1-phenylpropylideneamino]aniline
CID 6242685
(2S)-2-(2-methoxyanilino)-3-methylbutanoic acid
CID 15383895
N-[2-methoxy-5-[(2-phenoxyphenyl)sulfamoyl]phenyl]acetamide
CID 71903158
N-(2-methoxyphenyl)-3-nitro-4-[2-[1-(3,4,5-trimethoxyphenyl)ethylidene]hydrazinyl]benzenesulfonamide
CID 4164524
ethyl (2E,3Z)-3-(carbamothioylhydrazinylidene)-2-[(2-methoxyphenyl)hydrazinylidene]butanoate
CID 98518100
ethane;(2-methoxyphenyl)urea
CID 143063924
4-[benzenesulfonyl(methyl)amino]-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]benzamide
CID 4562303

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(benzenesulfonyl)-1-[(2-methoxyphenyl)hydrazinylidene]propan-2-one?
The IUPAC name of (1Z)-1-(benzenesulfonyl)-1-[(2-methoxyphenyl)hydrazinylidene]propan-2-one (CID 6521294) is (1Z)-1-(benzenesulfonyl)-1-[(2-methoxyphenyl)hydrazinylidene]propan-2-one.
What is the SMILES notation for (1Z)-1-(benzenesulfonyl)-1-[(2-methoxyphenyl)hydrazinylidene]propan-2-one?
The canonical SMILES for (1Z)-1-(benzenesulfonyl)-1-[(2-methoxyphenyl)hydrazinylidene]propan-2-one is COc1ccccc1N/N=C(/C(C)=O)S(=O)(=O)c1ccccc1.
What is the InChIKey of (1Z)-1-(benzenesulfonyl)-1-[(2-methoxyphenyl)hydrazinylidene]propan-2-one?
The InChIKey is GNZHSTMGAMORJF-VLGSPTGOSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-12(19)16(23(20,21)13-8-4-3-5-9-13)18-17-14-10-6-7-11-15(14)22-2/h3-11,17H,1-2H3/b18-16-.
What are the key properties of (1Z)-1-(benzenesulfonyl)-1-[(2-methoxyphenyl)hydrazinylidene]propan-2-one?
(1Z)-1-(benzenesulfonyl)-1-[(2-methoxyphenyl)hydrazinylidene]propan-2-one has a molecular weight of 332.38 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(benzenesulfonyl)-1-[(2-methoxyphenyl)hydrazinylidene]propan-2-one is sourced from PubChem (CID 6521294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).