2-benzylsulfonylacetohydrazide

C9H12N2O3S — CID 11817035

IUPAC2-benzylsulfonylacetohydrazide
SMILESNNC(=O)CS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C9H12N2O3S/c10-11-9(12)7-15(13,14)6-8-4-2-1-3-5-8/h1-5H,6-7,10H2,(H,11,12)
InChIKeyVNMZECBJKHJQEV-UHFFFAOYSA-N
MW228.27 g/mol
LogP-0.41
Rot. Bonds4

About 2-benzylsulfonylacetohydrazide

2-benzylsulfonylacetohydrazide (PubChem CID 11817035) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is 2-benzylsulfonylacetohydrazide.

Molecular Properties

Compound Name2-benzylsulfonylacetohydrazide
PubChem CID11817035
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name2-benzylsulfonylacetohydrazide
SMILESNNC(=O)CS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C9H12N2O3S/c10-11-9(12)7-15(13,14)6-8-4-2-1-3-5-8/h1-5H,6-7,10H2,(H,11,12)
InChIKeyVNMZECBJKHJQEV-UHFFFAOYSA-N
XLogP-0.41
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 5-0.41
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

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2-[(2-Methylphenyl)thio]acetic acid hydrazide
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2-Benzylsulfinylacetamide
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2-[(4-Methylphenyl)sulfanyl]acetohydrazide
CID 2463153
2-(4-Phenylbutylsulfonyl)acetamide
CID 479453
2-(5-Phenylpentylsulfonyl)acetamide
CID 479454
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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfonylacetohydrazide?
The IUPAC name of 2-benzylsulfonylacetohydrazide (CID 11817035) is 2-benzylsulfonylacetohydrazide.
What is the SMILES notation for 2-benzylsulfonylacetohydrazide?
The canonical SMILES for 2-benzylsulfonylacetohydrazide is NNC(=O)CS(=O)(=O)Cc1ccccc1.
What is the InChIKey of 2-benzylsulfonylacetohydrazide?
The InChIKey is VNMZECBJKHJQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c10-11-9(12)7-15(13,14)6-8-4-2-1-3-5-8/h1-5H,6-7,10H2,(H,11,12).
What are the key properties of 2-benzylsulfonylacetohydrazide?
2-benzylsulfonylacetohydrazide has a molecular weight of 228.27 g/mol, XLogP of -0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfonylacetohydrazide is sourced from PubChem (CID 11817035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).