2-(4-methylphenyl)sulfanyl-N'-naphthalen-2-ylsulfonylacetohydrazide

C19H18N2O3S2 — CID 3924423

IUPAC2-(4-methylphenyl)sulfanyl-N'-naphthalen-2-ylsulfonylacetohydrazide
SMILESCc1ccc(SCC(=O)NNS(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C19H18N2O3S2/c1-14-6-9-17(10-7-14)25-13-19(22)20-21-26(23,24)18-11-8-15-4-2-3-5-16(15)12-18/h2-12,21H,13H2,1H3,(H,20,22)
InChIKeyWIDOTLGCPCFVJP-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.25
Rot. Bonds6

About 2-(4-methylphenyl)sulfanyl-N'-naphthalen-2-ylsulfonylacetohydrazide

2-(4-methylphenyl)sulfanyl-N'-naphthalen-2-ylsulfonylacetohydrazide (PubChem CID 3924423) has the molecular formula C19H18N2O3S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-N'-naphthalen-2-ylsulfonylacetohydrazide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-N'-naphthalen-2-ylsulfonylacetohydrazide
PubChem CID3924423
Molecular FormulaC19H18N2O3S2
Molecular Weight386.50 g/mol
Exact Mass386.08
IUPAC Name2-(4-methylphenyl)sulfanyl-N'-naphthalen-2-ylsulfonylacetohydrazide
SMILESCc1ccc(SCC(=O)NNS(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C19H18N2O3S2/c1-14-6-9-17(10-7-14)25-13-19(22)20-21-26(23,24)18-11-8-15-4-2-3-5-16(15)12-18/h2-12,21H,13H2,1H3,(H,20,22)
InChIKeyWIDOTLGCPCFVJP-UHFFFAOYSA-N
XLogP3.25
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
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 2-(4-methylphenyl)sulfanyl-N'-naphthalen-2-ylsulfonylacetohydrazide?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-N'-naphthalen-2-ylsulfonylacetohydrazide (CID 3924423) is 2-(4-methylphenyl)sulfanyl-N'-naphthalen-2-ylsulfonylacetohydrazide.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-N'-naphthalen-2-ylsulfonylacetohydrazide?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-N'-naphthalen-2-ylsulfonylacetohydrazide is Cc1ccc(SCC(=O)NNS(=O)(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-N'-naphthalen-2-ylsulfonylacetohydrazide?
The InChIKey is WIDOTLGCPCFVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S2/c1-14-6-9-17(10-7-14)25-13-19(22)20-21-26(23,24)18-11-8-15-4-2-3-5-16(15)12-18/h2-12,21H,13H2,1H3,(H,20,22).
What are the key properties of 2-(4-methylphenyl)sulfanyl-N'-naphthalen-2-ylsulfonylacetohydrazide?
2-(4-methylphenyl)sulfanyl-N'-naphthalen-2-ylsulfonylacetohydrazide has a molecular weight of 386.50 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanyl-N'-naphthalen-2-ylsulfonylacetohydrazide is sourced from PubChem (CID 3924423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).