N'-[3-(benzenesulfonyl)propanoyl]-2-methylfuran-3-carbohydrazide

C15H16N2O5S — CID 9472671

IUPACN'-[3-(benzenesulfonyl)propanoyl]-2-methylfuran-3-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H16N2O5S/c1-11-13(7-9-22-11)15(19)17-16-14(18)8-10-23(20,21)12-5-3-2-4-6-12/h2-7,9H,8,10H2,1H3,(H,16,18)(H,17,19)
InChIKeyZKLWLNHHCYNOPO-UHFFFAOYSA-N
MW336.37 g/mol
LogP1.21
Rot. Bonds5

About N'-[3-(benzenesulfonyl)propanoyl]-2-methylfuran-3-carbohydrazide

N'-[3-(benzenesulfonyl)propanoyl]-2-methylfuran-3-carbohydrazide (PubChem CID 9472671) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is N'-[3-(benzenesulfonyl)propanoyl]-2-methylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(benzenesulfonyl)propanoyl]-2-methylfuran-3-carbohydrazide
PubChem CID9472671
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC NameN'-[3-(benzenesulfonyl)propanoyl]-2-methylfuran-3-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H16N2O5S/c1-11-13(7-9-22-11)15(19)17-16-14(18)8-10-23(20,21)12-5-3-2-4-6-12/h2-7,9H,8,10H2,1H3,(H,16,18)(H,17,19)
InChIKeyZKLWLNHHCYNOPO-UHFFFAOYSA-N
XLogP1.21
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-5-oxopentanoic acid
CID 5103163
N-(benzenesulfonyl)-2-methylfuran-3-carboxamide
CID 47231856
2-methyl-N'-(3-methylsulfanylpropanoyl)furan-3-carbohydrazide
CID 34756674
N'-[3-(4-fluorophenyl)sulfonylpropanoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 9468094
3-(benzenesulfonyl)-N'-(2-methylphenyl)propanehydrazide
CID 11955824
4-methyl-N'-[3-(4-methylphenyl)sulfonylpropanoyl]benzohydrazide
CID 9476163
methyl 3-[3-(benzenesulfonyl)propanoylamino]propanoate
CID 60628934
1-N',4-N'-bis(2-methylfuran-3-carbonyl)benzene-1,4-dicarbohydrazide
CID 1011836
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 7168537
2-methyl-N'-(2-phenylmethoxypropanoyl)furan-3-carbohydrazide
CID 46480731
N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide
CID 17310102
3-(benzenesulfonyl)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide
CID 9472102

Frequently Asked Questions

What is the IUPAC name of N'-[3-(benzenesulfonyl)propanoyl]-2-methylfuran-3-carbohydrazide?
The IUPAC name of N'-[3-(benzenesulfonyl)propanoyl]-2-methylfuran-3-carbohydrazide (CID 9472671) is N'-[3-(benzenesulfonyl)propanoyl]-2-methylfuran-3-carbohydrazide.
What is the SMILES notation for N'-[3-(benzenesulfonyl)propanoyl]-2-methylfuran-3-carbohydrazide?
The canonical SMILES for N'-[3-(benzenesulfonyl)propanoyl]-2-methylfuran-3-carbohydrazide is Cc1occc1C(=O)NNC(=O)CCS(=O)(=O)c1ccccc1.
What is the InChIKey of N'-[3-(benzenesulfonyl)propanoyl]-2-methylfuran-3-carbohydrazide?
The InChIKey is ZKLWLNHHCYNOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S/c1-11-13(7-9-22-11)15(19)17-16-14(18)8-10-23(20,21)12-5-3-2-4-6-12/h2-7,9H,8,10H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N'-[3-(benzenesulfonyl)propanoyl]-2-methylfuran-3-carbohydrazide?
N'-[3-(benzenesulfonyl)propanoyl]-2-methylfuran-3-carbohydrazide has a molecular weight of 336.37 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(benzenesulfonyl)propanoyl]-2-methylfuran-3-carbohydrazide is sourced from PubChem (CID 9472671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).