N'-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-methoxy-4-propoxybenzohydrazide

C21H24N2O5S — CID 18266953

IUPACN'-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-methoxy-4-propoxybenzohydrazide
SMILESCCCOc1ccc(C(=O)NNS(=O)(=O)C2=Cc3ccccc3CC2)cc1OC
InChIInChI=1S/C21H24N2O5S/c1-3-12-28-19-11-9-17(14-20(19)27-2)21(24)22-23-29(25,26)18-10-8-15-6-4-5-7-16(15)13-18/h4-7,9,11,13-14,23H,3,8,10,12H2,1-2H3,(H,22,24)
InChIKeyIGBPQMWWMYRTJF-UHFFFAOYSA-N
MW416.50 g/mol
LogP3.04
Rot. Bonds8

About N'-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-methoxy-4-propoxybenzohydrazide

N'-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-methoxy-4-propoxybenzohydrazide (PubChem CID 18266953) has the molecular formula C21H24N2O5S and a molecular weight of 416.50 g/mol. Its IUPAC name is N'-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-methoxy-4-propoxybenzohydrazide.

Molecular Properties

Compound NameN'-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-methoxy-4-propoxybenzohydrazide
PubChem CID18266953
Molecular FormulaC21H24N2O5S
Molecular Weight416.50 g/mol
Exact Mass416.14
IUPAC NameN'-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-methoxy-4-propoxybenzohydrazide
SMILESCCCOc1ccc(C(=O)NNS(=O)(=O)C2=Cc3ccccc3CC2)cc1OC
InChIInChI=1S/C21H24N2O5S/c1-3-12-28-19-11-9-17(14-20(19)27-2)21(24)22-23-29(25,26)18-10-8-15-6-4-5-7-16(15)13-18/h4-7,9,11,13-14,23H,3,8,10,12H2,1-2H3,(H,22,24)
InChIKeyIGBPQMWWMYRTJF-UHFFFAOYSA-N
XLogP3.04
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 53.04
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 N'-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-methoxy-4-propoxybenzohydrazide?
The IUPAC name of N'-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-methoxy-4-propoxybenzohydrazide (CID 18266953) is N'-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-methoxy-4-propoxybenzohydrazide.
What is the SMILES notation for N'-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-methoxy-4-propoxybenzohydrazide?
The canonical SMILES for N'-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-methoxy-4-propoxybenzohydrazide is CCCOc1ccc(C(=O)NNS(=O)(=O)C2=Cc3ccccc3CC2)cc1OC.
What is the InChIKey of N'-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-methoxy-4-propoxybenzohydrazide?
The InChIKey is IGBPQMWWMYRTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5S/c1-3-12-28-19-11-9-17(14-20(19)27-2)21(24)22-23-29(25,26)18-10-8-15-6-4-5-7-16(15)13-18/h4-7,9,11,13-14,23H,3,8,10,12H2,1-2H3,(H,22,24).
What are the key properties of N'-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-methoxy-4-propoxybenzohydrazide?
N'-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-methoxy-4-propoxybenzohydrazide has a molecular weight of 416.50 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-methoxy-4-propoxybenzohydrazide is sourced from PubChem (CID 18266953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).