3-ethoxy-N'-naphthalen-2-ylsulfonylbenzohydrazide

C19H18N2O4S — CID 155521406

IUPAC3-ethoxy-N'-naphthalen-2-ylsulfonylbenzohydrazide
SMILESCCOc1cccc(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C19H18N2O4S/c1-2-25-17-9-5-8-16(12-17)19(22)20-21-26(23,24)18-11-10-14-6-3-4-7-15(14)13-18/h3-13,21H,2H2,1H3,(H,20,22)
InChIKeyDIWSGPCYWRYVLP-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.86
Rot. Bonds6

About 3-ethoxy-N'-naphthalen-2-ylsulfonylbenzohydrazide

3-ethoxy-N'-naphthalen-2-ylsulfonylbenzohydrazide (PubChem CID 155521406) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is 3-ethoxy-N'-naphthalen-2-ylsulfonylbenzohydrazide.

Molecular Properties

Compound Name3-ethoxy-N'-naphthalen-2-ylsulfonylbenzohydrazide
PubChem CID155521406
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name3-ethoxy-N'-naphthalen-2-ylsulfonylbenzohydrazide
SMILESCCOc1cccc(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C19H18N2O4S/c1-2-25-17-9-5-8-16(12-17)19(22)20-21-26(23,24)18-11-10-14-6-3-4-7-15(14)13-18/h3-13,21H,2H2,1H3,(H,20,22)
InChIKeyDIWSGPCYWRYVLP-UHFFFAOYSA-N
XLogP2.86
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.86
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 3-ethoxy-N'-naphthalen-2-ylsulfonylbenzohydrazide?
The IUPAC name of 3-ethoxy-N'-naphthalen-2-ylsulfonylbenzohydrazide (CID 155521406) is 3-ethoxy-N'-naphthalen-2-ylsulfonylbenzohydrazide.
What is the SMILES notation for 3-ethoxy-N'-naphthalen-2-ylsulfonylbenzohydrazide?
The canonical SMILES for 3-ethoxy-N'-naphthalen-2-ylsulfonylbenzohydrazide is CCOc1cccc(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c1.
What is the InChIKey of 3-ethoxy-N'-naphthalen-2-ylsulfonylbenzohydrazide?
The InChIKey is DIWSGPCYWRYVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-2-25-17-9-5-8-16(12-17)19(22)20-21-26(23,24)18-11-10-14-6-3-4-7-15(14)13-18/h3-13,21H,2H2,1H3,(H,20,22).
What are the key properties of 3-ethoxy-N'-naphthalen-2-ylsulfonylbenzohydrazide?
3-ethoxy-N'-naphthalen-2-ylsulfonylbenzohydrazide has a molecular weight of 370.43 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N'-naphthalen-2-ylsulfonylbenzohydrazide is sourced from PubChem (CID 155521406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).