2-(benzenesulfonyl)-2-[(4-methoxyphenyl)hydrazinylidene]-1-naphthalen-1-ylethanone

C25H20N2O4S — CID 2753823

IUPAC2-(benzenesulfonyl)-2-[(4-methoxyphenyl)hydrazinylidene]-1-naphthalen-1-ylethanone
SMILESCOc1ccc(NN=C(C(=O)c2cccc3ccccc23)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H20N2O4S/c1-31-20-16-14-19(15-17-20)26-27-25(32(29,30)21-10-3-2-4-11-21)24(28)23-13-7-9-18-8-5-6-12-22(18)23/h2-17,26H,1H3
InChIKeySIPGBJRNRQJASL-UHFFFAOYSA-N
MW444.51 g/mol
LogP4.93
Rot. Bonds6

About 2-(benzenesulfonyl)-2-[(4-methoxyphenyl)hydrazinylidene]-1-naphthalen-1-ylethanone

2-(benzenesulfonyl)-2-[(4-methoxyphenyl)hydrazinylidene]-1-naphthalen-1-ylethanone (PubChem CID 2753823) has the molecular formula C25H20N2O4S and a molecular weight of 444.51 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-2-[(4-methoxyphenyl)hydrazinylidene]-1-naphthalen-1-ylethanone.

Molecular Properties

Compound Name2-(benzenesulfonyl)-2-[(4-methoxyphenyl)hydrazinylidene]-1-naphthalen-1-ylethanone
PubChem CID2753823
Molecular FormulaC25H20N2O4S
Molecular Weight444.51 g/mol
Exact Mass444.11
IUPAC Name2-(benzenesulfonyl)-2-[(4-methoxyphenyl)hydrazinylidene]-1-naphthalen-1-ylethanone
SMILESCOc1ccc(NN=C(C(=O)c2cccc3ccccc23)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H20N2O4S/c1-31-20-16-14-19(15-17-20)26-27-25(32(29,30)21-10-3-2-4-11-21)24(28)23-13-7-9-18-8-5-6-12-22(18)23/h2-17,26H,1H3
InChIKeySIPGBJRNRQJASL-UHFFFAOYSA-N
XLogP4.93
TPSA84.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 54.93
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

(2E)-2-[(4-aminophenyl)hydrazinylidene]-2-(benzenesulfonyl)-1-phenylethanone
CID 10523762
1-(3-methoxyphenyl)-2-naphthalen-1-ylethane-1,2-dione
CID 56956967
N-[2-(4-methoxyphenyl)ethyl]naphthalene-1-carboxamide
CID 2231008
3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide
CID 141011644
ethyl (2Z)-2-(4-methylphenyl)sulfonyl-2-(phenylhydrazinylidene)acetate
CID 5406299
N-(4-methoxyphenyl)naphthalene-1-carboxamide;N-(4-methoxyphenyl)-2-naphthalen-2-ylacetamide
CID 143592435
(1Z)-1-(benzenesulfonyl)-1-[(2-methoxyphenyl)hydrazinylidene]propan-2-one
CID 6521294
(2Z)-2-(benzenesulfonyl)-2-[(4-fluorophenyl)hydrazinylidene]acetohydrazide
CID 5407441
1-[4-(benzenesulfonyl)phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 156824686
4-[(4-methoxyphenyl)hydrazinylidene]pentanoic acid
CID 131854983
1-(4-methoxyphenyl)-4-naphthalen-1-ylbutane-1,4-dione
CID 14529191
2-[(4-methoxyphenyl)hydrazinylidene]-2-phenylethanol
CID 88811907

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-2-[(4-methoxyphenyl)hydrazinylidene]-1-naphthalen-1-ylethanone?
The IUPAC name of 2-(benzenesulfonyl)-2-[(4-methoxyphenyl)hydrazinylidene]-1-naphthalen-1-ylethanone (CID 2753823) is 2-(benzenesulfonyl)-2-[(4-methoxyphenyl)hydrazinylidene]-1-naphthalen-1-ylethanone.
What is the SMILES notation for 2-(benzenesulfonyl)-2-[(4-methoxyphenyl)hydrazinylidene]-1-naphthalen-1-ylethanone?
The canonical SMILES for 2-(benzenesulfonyl)-2-[(4-methoxyphenyl)hydrazinylidene]-1-naphthalen-1-ylethanone is COc1ccc(NN=C(C(=O)c2cccc3ccccc23)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-(benzenesulfonyl)-2-[(4-methoxyphenyl)hydrazinylidene]-1-naphthalen-1-ylethanone?
The InChIKey is SIPGBJRNRQJASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O4S/c1-31-20-16-14-19(15-17-20)26-27-25(32(29,30)21-10-3-2-4-11-21)24(28)23-13-7-9-18-8-5-6-12-22(18)23/h2-17,26H,1H3.
What are the key properties of 2-(benzenesulfonyl)-2-[(4-methoxyphenyl)hydrazinylidene]-1-naphthalen-1-ylethanone?
2-(benzenesulfonyl)-2-[(4-methoxyphenyl)hydrazinylidene]-1-naphthalen-1-ylethanone has a molecular weight of 444.51 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-2-[(4-methoxyphenyl)hydrazinylidene]-1-naphthalen-1-ylethanone is sourced from PubChem (CID 2753823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).