4-methyl-N-[methyl(phenyl)hydrazinylidene]benzenesulfonamide

C14H15N3O2S — CID 71375412

IUPAC4-methyl-N-[methyl(phenyl)hydrazinylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=NN(C)c2ccccc2)cc1
InChIInChI=1S/C14H15N3O2S/c1-12-8-10-14(11-9-12)20(18,19)16-15-17(2)13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyWJEFLTGCMGVZEQ-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.19
Rot. Bonds4

About 4-methyl-N-[methyl(phenyl)hydrazinylidene]benzenesulfonamide

4-methyl-N-[methyl(phenyl)hydrazinylidene]benzenesulfonamide (PubChem CID 71375412) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 4-methyl-N-[methyl(phenyl)hydrazinylidene]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[methyl(phenyl)hydrazinylidene]benzenesulfonamide
PubChem CID71375412
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name4-methyl-N-[methyl(phenyl)hydrazinylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=NN(C)c2ccccc2)cc1
InChIInChI=1S/C14H15N3O2S/c1-12-8-10-14(11-9-12)20(18,19)16-15-17(2)13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyWJEFLTGCMGVZEQ-UHFFFAOYSA-N
XLogP3.19
TPSA62.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2-(4-methylphenyl)sulfonyl-1-phenylguanidine
CID 67176300
N-(4-methylphenyl)iminobenzenesulfonamide
CID 10869025
4-methyl-N-[oxo(diphenyl)-λ6-sulfanylidene]benzenesulfonamide
CID 12506494
N-fluoro-4-methyl-N-phenylbenzenesulfonamide
CID 146522187
4-methyl-N',N'-diphenylbenzenesulfonohydrazide
CID 711063
N'-(benzenesulfonyl)-N-methyl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 2873223
4-methyl-N-(phenylimino-λ4-sulfanylidene)benzenesulfonamide
CID 23936503
4-methyl-N-[(2S)-4-phenylbutan-2-yl]iminobenzenesulfonamide
CID 10935998
N-(chloromethyl)-4-methyl-N-phenylbenzenesulfonamide
CID 69007007
benzene;N,4-dimethyl-N-phenylaniline
CID 71196716
4-methyl-N-[2-[(4-methylphenyl)sulfonylimino-diphenyl-λ5-phosphanyl]ethynyl-diphenyl-λ5-phosphanylidene]benzenesulfonamide
CID 134875992
1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene
CID 58526721

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[methyl(phenyl)hydrazinylidene]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[methyl(phenyl)hydrazinylidene]benzenesulfonamide (CID 71375412) is 4-methyl-N-[methyl(phenyl)hydrazinylidene]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[methyl(phenyl)hydrazinylidene]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[methyl(phenyl)hydrazinylidene]benzenesulfonamide is Cc1ccc(S(=O)(=O)N=NN(C)c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[methyl(phenyl)hydrazinylidene]benzenesulfonamide?
The InChIKey is WJEFLTGCMGVZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-12-8-10-14(11-9-12)20(18,19)16-15-17(2)13-6-4-3-5-7-13/h3-11H,1-2H3.
What are the key properties of 4-methyl-N-[methyl(phenyl)hydrazinylidene]benzenesulfonamide?
4-methyl-N-[methyl(phenyl)hydrazinylidene]benzenesulfonamide has a molecular weight of 289.36 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[methyl(phenyl)hydrazinylidene]benzenesulfonamide is sourced from PubChem (CID 71375412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).