4-methoxy-N'-(3-oxocyclohexyl)benzenesulfonohydrazide

C13H18N2O4S — CID 142647446

IUPAC4-methoxy-N'-(3-oxocyclohexyl)benzenesulfonohydrazide
SMILESCOc1ccc(S(=O)(=O)NNC2CCCC(=O)C2)cc1
InChIInChI=1S/C13H18N2O4S/c1-19-12-5-7-13(8-6-12)20(17,18)15-14-10-3-2-4-11(16)9-10/h5-8,10,14-15H,2-4,9H2,1H3
InChIKeyBFCQZWCMFJMOIY-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.99
Rot. Bonds5

About 4-methoxy-N'-(3-oxocyclohexyl)benzenesulfonohydrazide

4-methoxy-N'-(3-oxocyclohexyl)benzenesulfonohydrazide (PubChem CID 142647446) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 4-methoxy-N'-(3-oxocyclohexyl)benzenesulfonohydrazide.

Molecular Properties

Compound Name4-methoxy-N'-(3-oxocyclohexyl)benzenesulfonohydrazide
PubChem CID142647446
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name4-methoxy-N'-(3-oxocyclohexyl)benzenesulfonohydrazide
SMILESCOc1ccc(S(=O)(=O)NNC2CCCC(=O)C2)cc1
InChIInChI=1S/C13H18N2O4S/c1-19-12-5-7-13(8-6-12)20(17,18)15-14-10-3-2-4-11(16)9-10/h5-8,10,14-15H,2-4,9H2,1H3
InChIKeyBFCQZWCMFJMOIY-UHFFFAOYSA-N
XLogP0.99
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N'-(3-oxocyclohexyl)benzenesulfonohydrazide?
The IUPAC name of 4-methoxy-N'-(3-oxocyclohexyl)benzenesulfonohydrazide (CID 142647446) is 4-methoxy-N'-(3-oxocyclohexyl)benzenesulfonohydrazide.
What is the SMILES notation for 4-methoxy-N'-(3-oxocyclohexyl)benzenesulfonohydrazide?
The canonical SMILES for 4-methoxy-N'-(3-oxocyclohexyl)benzenesulfonohydrazide is COc1ccc(S(=O)(=O)NNC2CCCC(=O)C2)cc1.
What is the InChIKey of 4-methoxy-N'-(3-oxocyclohexyl)benzenesulfonohydrazide?
The InChIKey is BFCQZWCMFJMOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-19-12-5-7-13(8-6-12)20(17,18)15-14-10-3-2-4-11(16)9-10/h5-8,10,14-15H,2-4,9H2,1H3.
What are the key properties of 4-methoxy-N'-(3-oxocyclohexyl)benzenesulfonohydrazide?
4-methoxy-N'-(3-oxocyclohexyl)benzenesulfonohydrazide has a molecular weight of 298.36 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N'-(3-oxocyclohexyl)benzenesulfonohydrazide is sourced from PubChem (CID 142647446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).