4-methyl-N'-[(E)-1-phenylprop-1-enyl]benzenesulfonohydrazide

C16H18N2O2S — CID 91249425

IUPAC4-methyl-N'-[(E)-1-phenylprop-1-enyl]benzenesulfonohydrazide
SMILESC/C=C(/NNS(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C16H18N2O2S/c1-3-16(14-7-5-4-6-8-14)17-18-21(19,20)15-11-9-13(2)10-12-15/h3-12,17-18H,1-2H3/b16-3+
InChIKeyHTAAILJRHTUUSB-HQYXKAPLSA-N
MW302.40 g/mol
LogP2.84
Rot. Bonds5

About 4-methyl-N'-[(E)-1-phenylprop-1-enyl]benzenesulfonohydrazide

4-methyl-N'-[(E)-1-phenylprop-1-enyl]benzenesulfonohydrazide (PubChem CID 91249425) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-methyl-N'-[(E)-1-phenylprop-1-enyl]benzenesulfonohydrazide.

Molecular Properties

Compound Name4-methyl-N'-[(E)-1-phenylprop-1-enyl]benzenesulfonohydrazide
PubChem CID91249425
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name4-methyl-N'-[(E)-1-phenylprop-1-enyl]benzenesulfonohydrazide
SMILESC/C=C(/NNS(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C16H18N2O2S/c1-3-16(14-7-5-4-6-8-14)17-18-21(19,20)15-11-9-13(2)10-12-15/h3-12,17-18H,1-2H3/b16-3+
InChIKeyHTAAILJRHTUUSB-HQYXKAPLSA-N
XLogP2.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methyl-N'-[(E)-1-phenylprop-1-enyl]benzenesulfonohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Methylbenzenesulfonic acid 2-phenylhydrazide
CID 207054
4-methyl-N'-(4-methylphenyl)benzenesulfonohydrazide
CID 786403
2,4-dimethyl-N'-phenylbenzenesulfonohydrazide
CID 3118791
N-[(4-methylbenzene)sulfonamido]benzenecarboimidothioic acid
CID 44462214
4-methyl-N-(4-phenylhepta-1,6-dien-4-yl)benzenesulfonamide
CID 708035
oxo[(Z)-phenylmethanhydrazonoylideneamino]-p-tolyl-lambda-sulfaniumolate
CID 4146165
Benzenesulfonamide, 4-methyl-N-(1-methyl-1-phenylethyl)-
CID 3829601
4-methyl-N-(1-phenylethenyl)benzenesulfonamide
CID 11471299
(1r,2r)-N-(p-tosyl)-1,2-diphenylethylene-1,2-diamine
CID 87246771
4-methyl-N-[(Z)-1-phenylprop-1-enyl]benzenesulfonamide
CID 140118705
2-methyl-N'-phenyl-benzenesulfonohydrazide
CID 456819
N-(4-aminophenyl)-4-butyl-benzenesulfonamide
CID 458885

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-[(E)-1-phenylprop-1-enyl]benzenesulfonohydrazide?
The IUPAC name of 4-methyl-N'-[(E)-1-phenylprop-1-enyl]benzenesulfonohydrazide (CID 91249425) is 4-methyl-N'-[(E)-1-phenylprop-1-enyl]benzenesulfonohydrazide.
What is the SMILES notation for 4-methyl-N'-[(E)-1-phenylprop-1-enyl]benzenesulfonohydrazide?
The canonical SMILES for 4-methyl-N'-[(E)-1-phenylprop-1-enyl]benzenesulfonohydrazide is C/C=C(/NNS(=O)(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of 4-methyl-N'-[(E)-1-phenylprop-1-enyl]benzenesulfonohydrazide?
The InChIKey is HTAAILJRHTUUSB-HQYXKAPLSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-3-16(14-7-5-4-6-8-14)17-18-21(19,20)15-11-9-13(2)10-12-15/h3-12,17-18H,1-2H3/b16-3+.
What are the key properties of 4-methyl-N'-[(E)-1-phenylprop-1-enyl]benzenesulfonohydrazide?
4-methyl-N'-[(E)-1-phenylprop-1-enyl]benzenesulfonohydrazide has a molecular weight of 302.40 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[(E)-1-phenylprop-1-enyl]benzenesulfonohydrazide is sourced from PubChem (CID 91249425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).