N'-naphthalen-2-ylsulfonyl-3-propoxybenzohydrazide

C20H20N2O4S — CID 155518274

IUPACN'-naphthalen-2-ylsulfonyl-3-propoxybenzohydrazide
SMILESCCCOc1cccc(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C20H20N2O4S/c1-2-12-26-18-9-5-8-17(13-18)20(23)21-22-27(24,25)19-11-10-15-6-3-4-7-16(15)14-19/h3-11,13-14,22H,2,12H2,1H3,(H,21,23)
InChIKeyLBOUTYQAWHOGBB-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.25
Rot. Bonds7

About N'-naphthalen-2-ylsulfonyl-3-propoxybenzohydrazide

N'-naphthalen-2-ylsulfonyl-3-propoxybenzohydrazide (PubChem CID 155518274) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is N'-naphthalen-2-ylsulfonyl-3-propoxybenzohydrazide.

Molecular Properties

Compound NameN'-naphthalen-2-ylsulfonyl-3-propoxybenzohydrazide
PubChem CID155518274
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC NameN'-naphthalen-2-ylsulfonyl-3-propoxybenzohydrazide
SMILESCCCOc1cccc(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C20H20N2O4S/c1-2-12-26-18-9-5-8-17(13-18)20(23)21-22-27(24,25)19-11-10-15-6-3-4-7-16(15)14-19/h3-11,13-14,22H,2,12H2,1H3,(H,21,23)
InChIKeyLBOUTYQAWHOGBB-UHFFFAOYSA-N
XLogP3.25
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-naphthalen-2-ylsulfonyl-3-propoxybenzohydrazide?
The IUPAC name of N'-naphthalen-2-ylsulfonyl-3-propoxybenzohydrazide (CID 155518274) is N'-naphthalen-2-ylsulfonyl-3-propoxybenzohydrazide.
What is the SMILES notation for N'-naphthalen-2-ylsulfonyl-3-propoxybenzohydrazide?
The canonical SMILES for N'-naphthalen-2-ylsulfonyl-3-propoxybenzohydrazide is CCCOc1cccc(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c1.
What is the InChIKey of N'-naphthalen-2-ylsulfonyl-3-propoxybenzohydrazide?
The InChIKey is LBOUTYQAWHOGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-2-12-26-18-9-5-8-17(13-18)20(23)21-22-27(24,25)19-11-10-15-6-3-4-7-16(15)14-19/h3-11,13-14,22H,2,12H2,1H3,(H,21,23).
What are the key properties of N'-naphthalen-2-ylsulfonyl-3-propoxybenzohydrazide?
N'-naphthalen-2-ylsulfonyl-3-propoxybenzohydrazide has a molecular weight of 384.46 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-naphthalen-2-ylsulfonyl-3-propoxybenzohydrazide is sourced from PubChem (CID 155518274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).