1-(4-methylphenyl)sulfonylpropan-2-ylidenehydrazine

C10H14N2O2S — CID 71437493

IUPAC1-(4-methylphenyl)sulfonylpropan-2-ylidenehydrazine
SMILESCC(CS(=O)(=O)c1ccc(C)cc1)=NN
InChIInChI=1S/C10H14N2O2S/c1-8-3-5-10(6-4-8)15(13,14)7-9(2)12-11/h3-6H,7,11H2,1-2H3
InChIKeyHZQRNLBVFJPACA-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.10
Rot. Bonds3

About 1-(4-methylphenyl)sulfonylpropan-2-ylidenehydrazine

1-(4-methylphenyl)sulfonylpropan-2-ylidenehydrazine (PubChem CID 71437493) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonylpropan-2-ylidenehydrazine.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonylpropan-2-ylidenehydrazine
PubChem CID71437493
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name1-(4-methylphenyl)sulfonylpropan-2-ylidenehydrazine
SMILESCC(CS(=O)(=O)c1ccc(C)cc1)=NN
InChIInChI=1S/C10H14N2O2S/c1-8-3-5-10(6-4-8)15(13,14)7-9(2)12-11/h3-6H,7,11H2,1-2H3
InChIKeyHZQRNLBVFJPACA-UHFFFAOYSA-N
XLogP1.10
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-2-(4-methylphenyl)sulfonylethanimidamide
CID 2794668
N-[(E)-1-(benzenesulfonyl)propan-2-ylideneamino]-4-methylbenzenesulfonamide
CID 137357878
2-(4-methylphenyl)sulfonylacetyl bromide
CID 71420756
3-methyl-4-(4-methylphenyl)sulfonylbut-2-en-1-ol
CID 54270848
3-(4-methylphenyl)sulfonyl-2-oxopropanal
CID 174250948
4-methyl-3-[(4-methylphenyl)sulfonylmethyl]pent-3-en-1-ol
CID 54078765
3-(4-methylphenyl)sulfonylprop-1-en-2-yl acetate
CID 12592297
N-(2-aminoethyl)-2-(4-methylphenyl)sulfonylacetamide
CID 64697569
ethane;1-ethylsulfonyl-4-methylbenzene
CID 142583091
bis-(4-methylphenyl)sulfonylmethylidenehydrazine
CID 154263261
2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoic acid;bis(prop-1-ene)
CID 144994130
1-[(2E)-2,8-dimethylnona-2,7-dienyl]sulfonyl-4-methylbenzene
CID 10402911

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonylpropan-2-ylidenehydrazine?
The IUPAC name of 1-(4-methylphenyl)sulfonylpropan-2-ylidenehydrazine (CID 71437493) is 1-(4-methylphenyl)sulfonylpropan-2-ylidenehydrazine.
What is the SMILES notation for 1-(4-methylphenyl)sulfonylpropan-2-ylidenehydrazine?
The canonical SMILES for 1-(4-methylphenyl)sulfonylpropan-2-ylidenehydrazine is CC(CS(=O)(=O)c1ccc(C)cc1)=NN.
What is the InChIKey of 1-(4-methylphenyl)sulfonylpropan-2-ylidenehydrazine?
The InChIKey is HZQRNLBVFJPACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-8-3-5-10(6-4-8)15(13,14)7-9(2)12-11/h3-6H,7,11H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)sulfonylpropan-2-ylidenehydrazine?
1-(4-methylphenyl)sulfonylpropan-2-ylidenehydrazine has a molecular weight of 226.30 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonylpropan-2-ylidenehydrazine is sourced from PubChem (CID 71437493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).