2-[(4-naphthalen-1-ylphenyl)methylsulfonyl]acetohydrazide

C19H18N2O3S — CID 142167208

IUPAC2-[(4-naphthalen-1-ylphenyl)methylsulfonyl]acetohydrazide
SMILESNNC(=O)CS(=O)(=O)Cc1ccc(-c2cccc3ccccc23)cc1
InChIInChI=1S/C19H18N2O3S/c20-21-19(22)13-25(23,24)12-14-8-10-16(11-9-14)18-7-3-5-15-4-1-2-6-17(15)18/h1-11H,12-13,20H2,(H,21,22)
InChIKeyDEMSBSJORJSQFE-UHFFFAOYSA-N
MW354.43 g/mol
LogP2.41
Rot. Bonds5

About 2-[(4-naphthalen-1-ylphenyl)methylsulfonyl]acetohydrazide

2-[(4-naphthalen-1-ylphenyl)methylsulfonyl]acetohydrazide (PubChem CID 142167208) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-[(4-naphthalen-1-ylphenyl)methylsulfonyl]acetohydrazide.

Molecular Properties

Compound Name2-[(4-naphthalen-1-ylphenyl)methylsulfonyl]acetohydrazide
PubChem CID142167208
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name2-[(4-naphthalen-1-ylphenyl)methylsulfonyl]acetohydrazide
SMILESNNC(=O)CS(=O)(=O)Cc1ccc(-c2cccc3ccccc23)cc1
InChIInChI=1S/C19H18N2O3S/c20-21-19(22)13-25(23,24)12-14-8-10-16(11-9-14)18-7-3-5-15-4-1-2-6-17(15)18/h1-11H,12-13,20H2,(H,21,22)
InChIKeyDEMSBSJORJSQFE-UHFFFAOYSA-N
XLogP2.41
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]acetohydrazide
CID 2728154
N'-(4-fluorophenyl)sulfonyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]acetohydrazide
CID 2807212
N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]-3-phenylprop-2-enehydrazide
CID 2728104
(E)-N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]-3-phenylprop-2-enehydrazide
CID 5817570
N-(2-aminoethyl)-2-[(4-naphthalen-2-ylphenyl)methylsulfonyl]acetamide
CID 10221510
2-[(Triphenylmethyl)thio]acetic acid hydrazide
CID 22142131
3-(naphthalen-2-ylmethylsulfonyl)-1H-pyridazin-6-one
CID 22721967
4-methyl-2-methylsulfonyl-N'-(naphthalen-2-ylmethyl)pentanehydrazide
CID 154449560
2-(1-Naphthalen-2-ylprop-2-enylsulfonyl)propanediamide
CID 174614341
2-(Naphthalen-1-ylmethylsulfanyl)acetohydrazide
CID 2737033
2-(4-methylphenyl)sulfanyl-N'-naphthalen-2-ylsulfonylacetohydrazide
CID 3924423
2-(1,1-dioxothiolan-3-yl)-N'-(2-naphthalen-1-ylacetyl)acetohydrazide
CID 5085246

Frequently Asked Questions

What is the IUPAC name of 2-[(4-naphthalen-1-ylphenyl)methylsulfonyl]acetohydrazide?
The IUPAC name of 2-[(4-naphthalen-1-ylphenyl)methylsulfonyl]acetohydrazide (CID 142167208) is 2-[(4-naphthalen-1-ylphenyl)methylsulfonyl]acetohydrazide.
What is the SMILES notation for 2-[(4-naphthalen-1-ylphenyl)methylsulfonyl]acetohydrazide?
The canonical SMILES for 2-[(4-naphthalen-1-ylphenyl)methylsulfonyl]acetohydrazide is NNC(=O)CS(=O)(=O)Cc1ccc(-c2cccc3ccccc23)cc1.
What is the InChIKey of 2-[(4-naphthalen-1-ylphenyl)methylsulfonyl]acetohydrazide?
The InChIKey is DEMSBSJORJSQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c20-21-19(22)13-25(23,24)12-14-8-10-16(11-9-14)18-7-3-5-15-4-1-2-6-17(15)18/h1-11H,12-13,20H2,(H,21,22).
What are the key properties of 2-[(4-naphthalen-1-ylphenyl)methylsulfonyl]acetohydrazide?
2-[(4-naphthalen-1-ylphenyl)methylsulfonyl]acetohydrazide has a molecular weight of 354.43 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-naphthalen-1-ylphenyl)methylsulfonyl]acetohydrazide is sourced from PubChem (CID 142167208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).