[furan-2-yl-(3-methylsulfonylphenyl)methyl]hydrazine

C12H14N2O3S — CID 105305957

IUPAC[furan-2-yl-(3-methylsulfonylphenyl)methyl]hydrazine
SMILESCS(=O)(=O)c1cccc(C(NN)c2ccco2)c1
InChIInChI=1S/C12H14N2O3S/c1-18(15,16)10-5-2-4-9(8-10)12(14-13)11-6-3-7-17-11/h2-8,12,14H,13H2,1H3
InChIKeyXFCNCNBYOLIHFC-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.24
Rot. Bonds4

About [furan-2-yl-(3-methylsulfonylphenyl)methyl]hydrazine

[furan-2-yl-(3-methylsulfonylphenyl)methyl]hydrazine (PubChem CID 105305957) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is [furan-2-yl-(3-methylsulfonylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[furan-2-yl-(3-methylsulfonylphenyl)methyl]hydrazine
PubChem CID105305957
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name[furan-2-yl-(3-methylsulfonylphenyl)methyl]hydrazine
SMILESCS(=O)(=O)c1cccc(C(NN)c2ccco2)c1
InChIInChI=1S/C12H14N2O3S/c1-18(15,16)10-5-2-4-9(8-10)12(14-13)11-6-3-7-17-11/h2-8,12,14H,13H2,1H3
InChIKeyXFCNCNBYOLIHFC-UHFFFAOYSA-N
XLogP1.24
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[furan-2-yl(hydrazinyl)methyl]-N,N-dimethylaniline
CID 105305991
[(2,5-dichlorophenyl)-(3-methylsulfonylphenyl)methyl]hydrazine
CID 105301936
[(5-fluoro-2-methylphenyl)-(3-methylsulfonylphenyl)methyl]hydrazine
CID 105302119
[(4-fluoro-2-methylphenyl)-(3-methylsulfonylphenyl)methyl]hydrazine
CID 105302391
[furan-2-yl-(2-methyl-4-pyridinyl)methyl]hydrazine
CID 106756549
3-[1-[[(1R)-1-(furan-2-yl)ethyl]amino]ethyl]benzenesulfonamide
CID 81402634
[(3-methylsulfonylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288442
[4,4-dimethyl-1-(3-methylsulfonylphenyl)pentyl]hydrazine
CID 105299901
[1-(3-methylsulfonylphenyl)-2-phenylethyl]hydrazine
CID 105283041
1-(difluoromethyl)-3-methylsulfonylbenzene
CID 154791321
[(4-methylsulfonylphenyl)-phenylmethyl]hydrazine
CID 105282883
N-methyl-1-(3-methylsulfonylphenyl)ethanamine
CID 112704192

Frequently Asked Questions

What is the IUPAC name of [furan-2-yl-(3-methylsulfonylphenyl)methyl]hydrazine?
The IUPAC name of [furan-2-yl-(3-methylsulfonylphenyl)methyl]hydrazine (CID 105305957) is [furan-2-yl-(3-methylsulfonylphenyl)methyl]hydrazine.
What is the SMILES notation for [furan-2-yl-(3-methylsulfonylphenyl)methyl]hydrazine?
The canonical SMILES for [furan-2-yl-(3-methylsulfonylphenyl)methyl]hydrazine is CS(=O)(=O)c1cccc(C(NN)c2ccco2)c1.
What is the InChIKey of [furan-2-yl-(3-methylsulfonylphenyl)methyl]hydrazine?
The InChIKey is XFCNCNBYOLIHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-18(15,16)10-5-2-4-9(8-10)12(14-13)11-6-3-7-17-11/h2-8,12,14H,13H2,1H3.
What are the key properties of [furan-2-yl-(3-methylsulfonylphenyl)methyl]hydrazine?
[furan-2-yl-(3-methylsulfonylphenyl)methyl]hydrazine has a molecular weight of 266.32 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [furan-2-yl-(3-methylsulfonylphenyl)methyl]hydrazine is sourced from PubChem (CID 105305957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).