3-(benzenesulfonyl)-N'-(2-methylphenyl)propanehydrazide

C16H18N2O3S — CID 11955824

IUPAC3-(benzenesulfonyl)-N'-(2-methylphenyl)propanehydrazide
SMILESCc1ccccc1NNC(=O)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H18N2O3S/c1-13-7-5-6-10-15(13)17-18-16(19)11-12-22(20,21)14-8-3-2-4-9-14/h2-10,17H,11-12H2,1H3,(H,18,19)
InChIKeySDVLLFPRHUNOOH-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.30
Rot. Bonds6

About 3-(benzenesulfonyl)-N'-(2-methylphenyl)propanehydrazide

3-(benzenesulfonyl)-N'-(2-methylphenyl)propanehydrazide (PubChem CID 11955824) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N'-(2-methylphenyl)propanehydrazide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N'-(2-methylphenyl)propanehydrazide
PubChem CID11955824
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name3-(benzenesulfonyl)-N'-(2-methylphenyl)propanehydrazide
SMILESCc1ccccc1NNC(=O)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H18N2O3S/c1-13-7-5-6-10-15(13)17-18-16(19)11-12-22(20,21)14-8-3-2-4-9-14/h2-10,17H,11-12H2,1H3,(H,18,19)
InChIKeySDVLLFPRHUNOOH-UHFFFAOYSA-N
XLogP2.30
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.30
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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Related Compounds

5-[2-(2-methylphenyl)hydrazinyl]-5-oxopentanoic acid
CID 143636420
3-(benzenesulfonyl)-N-(2,4-dimethylphenyl)propanamide
CID 17310093
2-[3-(benzenesulfonyl)propanoylamino]-N-tert-butylbenzamide
CID 17310177
N'-(2-methylphenyl)heptanehydrazide
CID 11955771
4-(benzenesulfonyl)-N-(2,3-dimethylphenyl)butanamide
CID 41273173
N-(2-aminophenyl)-3-(benzenesulfonyl)propanamide
CID 43444138
N'-[3-(benzenesulfonyl)propanoyl]-2-methylfuran-3-carbohydrazide
CID 9472671
N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide
CID 17310102
N'-[2-(2-methylphenoxy)acetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide
CID 9469934
(2R)-2-[3-(benzenesulfonyl)propanoylamino]-3-methylbutanoic acid
CID 79009473
3-(4-methylphenyl)sulfonyl-N-(2-phenylphenyl)propanamide
CID 26727449
3-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)propanamide
CID 17310097

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N'-(2-methylphenyl)propanehydrazide?
The IUPAC name of 3-(benzenesulfonyl)-N'-(2-methylphenyl)propanehydrazide (CID 11955824) is 3-(benzenesulfonyl)-N'-(2-methylphenyl)propanehydrazide.
What is the SMILES notation for 3-(benzenesulfonyl)-N'-(2-methylphenyl)propanehydrazide?
The canonical SMILES for 3-(benzenesulfonyl)-N'-(2-methylphenyl)propanehydrazide is Cc1ccccc1NNC(=O)CCS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-N'-(2-methylphenyl)propanehydrazide?
The InChIKey is SDVLLFPRHUNOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-13-7-5-6-10-15(13)17-18-16(19)11-12-22(20,21)14-8-3-2-4-9-14/h2-10,17H,11-12H2,1H3,(H,18,19).
What are the key properties of 3-(benzenesulfonyl)-N'-(2-methylphenyl)propanehydrazide?
3-(benzenesulfonyl)-N'-(2-methylphenyl)propanehydrazide has a molecular weight of 318.40 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N'-(2-methylphenyl)propanehydrazide is sourced from PubChem (CID 11955824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).