2-[(4-methylphenyl)methylsulfonyl]acetohydrazide

C10H14N2O3S — CID 11299491

IUPAC2-[(4-methylphenyl)methylsulfonyl]acetohydrazide
SMILESCc1ccc(CS(=O)(=O)CC(=O)NN)cc1
InChIInChI=1S/C10H14N2O3S/c1-8-2-4-9(5-3-8)6-16(14,15)7-10(13)12-11/h2-5H,6-7,11H2,1H3,(H,12,13)
InChIKeyCPUNXSMWQMGNLV-UHFFFAOYSA-N
MW242.30 g/mol
LogP-0.10
Rot. Bonds4

About 2-[(4-methylphenyl)methylsulfonyl]acetohydrazide

2-[(4-methylphenyl)methylsulfonyl]acetohydrazide (PubChem CID 11299491) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methylsulfonyl]acetohydrazide.

Molecular Properties

Compound Name2-[(4-methylphenyl)methylsulfonyl]acetohydrazide
PubChem CID11299491
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name2-[(4-methylphenyl)methylsulfonyl]acetohydrazide
SMILESCc1ccc(CS(=O)(=O)CC(=O)NN)cc1
InChIInChI=1S/C10H14N2O3S/c1-8-2-4-9(5-3-8)6-16(14,15)7-10(13)12-11/h2-5H,6-7,11H2,1H3,(H,12,13)
InChIKeyCPUNXSMWQMGNLV-UHFFFAOYSA-N
XLogP-0.10
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 5-0.10
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

3-(Benzylsulfonyl)-2-methylpropanamide
CID 335544
2-[(2-Methylphenyl)thio]acetic acid hydrazide
CID 21235695
2-Benzylsulfinylacetamide
CID 23205551
2-[(4-Methylphenyl)sulfanyl]acetohydrazide
CID 2463153
2-(4-Phenylbutylsulfonyl)acetamide
CID 479453
2-(5-Phenylpentylsulfonyl)acetamide
CID 479454
2-(6-Phenylhexylsulfonyl)acetamide
CID 479455
2-[[3-(Trifluoromethyl)phenyl]methylsulfinyl]acetohydrazide
CID 2803876
2-[(4-Fluorophenyl)methylsulfonyl]acetamide
CID 45892024
2-Benzylsulfonylacetamide
CID 18474261
3-(Benzylsulfonyl)propanamide
CID 335895
2-Benzylsulfonylacetohydrazide
CID 11817035

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methylsulfonyl]acetohydrazide?
The IUPAC name of 2-[(4-methylphenyl)methylsulfonyl]acetohydrazide (CID 11299491) is 2-[(4-methylphenyl)methylsulfonyl]acetohydrazide.
What is the SMILES notation for 2-[(4-methylphenyl)methylsulfonyl]acetohydrazide?
The canonical SMILES for 2-[(4-methylphenyl)methylsulfonyl]acetohydrazide is Cc1ccc(CS(=O)(=O)CC(=O)NN)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methylsulfonyl]acetohydrazide?
The InChIKey is CPUNXSMWQMGNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-8-2-4-9(5-3-8)6-16(14,15)7-10(13)12-11/h2-5H,6-7,11H2,1H3,(H,12,13).
What are the key properties of 2-[(4-methylphenyl)methylsulfonyl]acetohydrazide?
2-[(4-methylphenyl)methylsulfonyl]acetohydrazide has a molecular weight of 242.30 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methylsulfonyl]acetohydrazide is sourced from PubChem (CID 11299491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).