4-methyl-N'-(1-phenylethenyl)benzenesulfonohydrazide

C15H16N2O2S — CID 2195140

IUPAC4-methyl-N'-(1-phenylethenyl)benzenesulfonohydrazide
SMILESC=C(NNS(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C15H16N2O2S/c1-12-8-10-15(11-9-12)20(18,19)17-16-13(2)14-6-4-3-5-7-14/h3-11,16-17H,2H2,1H3
InChIKeyHUQFSNZTWHEKPL-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.45
Rot. Bonds5

About 4-methyl-N'-(1-phenylethenyl)benzenesulfonohydrazide

4-methyl-N'-(1-phenylethenyl)benzenesulfonohydrazide (PubChem CID 2195140) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-methyl-N'-(1-phenylethenyl)benzenesulfonohydrazide.

Molecular Properties

Compound Name4-methyl-N'-(1-phenylethenyl)benzenesulfonohydrazide
PubChem CID2195140
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name4-methyl-N'-(1-phenylethenyl)benzenesulfonohydrazide
SMILESC=C(NNS(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C15H16N2O2S/c1-12-8-10-15(11-9-12)20(18,19)17-16-13(2)14-6-4-3-5-7-14/h3-11,16-17H,2H2,1H3
InChIKeyHUQFSNZTWHEKPL-UHFFFAOYSA-N
XLogP2.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-(1-phenylethenyl)benzenesulfonohydrazide?
The IUPAC name of 4-methyl-N'-(1-phenylethenyl)benzenesulfonohydrazide (CID 2195140) is 4-methyl-N'-(1-phenylethenyl)benzenesulfonohydrazide.
What is the SMILES notation for 4-methyl-N'-(1-phenylethenyl)benzenesulfonohydrazide?
The canonical SMILES for 4-methyl-N'-(1-phenylethenyl)benzenesulfonohydrazide is C=C(NNS(=O)(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of 4-methyl-N'-(1-phenylethenyl)benzenesulfonohydrazide?
The InChIKey is HUQFSNZTWHEKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-12-8-10-15(11-9-12)20(18,19)17-16-13(2)14-6-4-3-5-7-14/h3-11,16-17H,2H2,1H3.
What are the key properties of 4-methyl-N'-(1-phenylethenyl)benzenesulfonohydrazide?
4-methyl-N'-(1-phenylethenyl)benzenesulfonohydrazide has a molecular weight of 288.37 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-(1-phenylethenyl)benzenesulfonohydrazide is sourced from PubChem (CID 2195140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).