5-[(4-methylsulfonylphenoxy)methyl]furan-2-carbohydrazide

C13H14N2O5S — CID 63568571

IUPAC5-[(4-methylsulfonylphenoxy)methyl]furan-2-carbohydrazide
SMILESCS(=O)(=O)c1ccc(OCc2ccc(C(=O)NN)o2)cc1
InChIInChI=1S/C13H14N2O5S/c1-21(17,18)11-5-2-9(3-6-11)19-8-10-4-7-12(20-10)13(16)15-14/h2-7H,8,14H2,1H3,(H,15,16)
InChIKeyUZHAIGJFAWPEJU-UHFFFAOYSA-N
MW310.33 g/mol
LogP0.87
Rot. Bonds5

About 5-[(4-methylsulfonylphenoxy)methyl]furan-2-carbohydrazide

5-[(4-methylsulfonylphenoxy)methyl]furan-2-carbohydrazide (PubChem CID 63568571) has the molecular formula C13H14N2O5S and a molecular weight of 310.33 g/mol. Its IUPAC name is 5-[(4-methylsulfonylphenoxy)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[(4-methylsulfonylphenoxy)methyl]furan-2-carbohydrazide
PubChem CID63568571
Molecular FormulaC13H14N2O5S
Molecular Weight310.33 g/mol
Exact Mass310.06
IUPAC Name5-[(4-methylsulfonylphenoxy)methyl]furan-2-carbohydrazide
SMILESCS(=O)(=O)c1ccc(OCc2ccc(C(=O)NN)o2)cc1
InChIInChI=1S/C13H14N2O5S/c1-21(17,18)11-5-2-9(3-6-11)19-8-10-4-7-12(20-10)13(16)15-14/h2-7H,8,14H2,1H3,(H,15,16)
InChIKeyUZHAIGJFAWPEJU-UHFFFAOYSA-N
XLogP0.87
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

5-[(4-methylsulfonylphenoxy)methyl]furan-2-carboxylic acid
CID 43806772
5-[(4-ethoxyphenoxy)methyl]furan-2-carbohydrazide
CID 5104781
5-[(3,5-dimethoxyphenoxy)methyl]furan-2-carbohydrazide
CID 63570670
1-methyl-1-[1-(4-methylsulfonylphenyl)ethyl]-3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]urea
CID 55578046
5-[(4-fluorophenoxy)methyl]-N-(3-methylsulfonylphenyl)furan-2-carboxamide
CID 39995738
5-(methoxymethyl)-N-[(4-methylsulfonylphenyl)methyl]furan-2-carboxamide
CID 78872860
N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]-5-[(4-methylsulfonylphenoxy)methyl]furan-2-carboxamide
CID 75426835
N-[3-[[5-(hydrazinecarbonyl)furan-2-yl]methoxy]phenyl]acetamide
CID 63574857
5-[(3-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide
CID 63577007
N-methyl-5-(phenoxymethyl)furan-2-carboxamide
CID 7678218
5-[(2-methyl-3-nitrophenoxy)methyl]furan-2-carbohydrazide
CID 63568555
3-[[5-(hydrazinecarbonyl)furan-2-yl]methoxy]benzamide
CID 63575860

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylsulfonylphenoxy)methyl]furan-2-carbohydrazide?
The IUPAC name of 5-[(4-methylsulfonylphenoxy)methyl]furan-2-carbohydrazide (CID 63568571) is 5-[(4-methylsulfonylphenoxy)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[(4-methylsulfonylphenoxy)methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[(4-methylsulfonylphenoxy)methyl]furan-2-carbohydrazide is CS(=O)(=O)c1ccc(OCc2ccc(C(=O)NN)o2)cc1.
What is the InChIKey of 5-[(4-methylsulfonylphenoxy)methyl]furan-2-carbohydrazide?
The InChIKey is UZHAIGJFAWPEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5S/c1-21(17,18)11-5-2-9(3-6-11)19-8-10-4-7-12(20-10)13(16)15-14/h2-7H,8,14H2,1H3,(H,15,16).
What are the key properties of 5-[(4-methylsulfonylphenoxy)methyl]furan-2-carbohydrazide?
5-[(4-methylsulfonylphenoxy)methyl]furan-2-carbohydrazide has a molecular weight of 310.33 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylsulfonylphenoxy)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 63568571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).