N-[bis(4-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide

C22H22N2O2S — CID 57327315

IUPACN-[bis(4-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(C(=NNS(=O)(=O)c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H22N2O2S/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)23-24-27(25,26)21-14-8-18(3)9-15-21/h4-15,24H,1-3H3
InChIKeyWFOKRJGOCZVOQQ-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.34
Rot. Bonds5

About N-[bis(4-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide

N-[bis(4-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide (PubChem CID 57327315) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-[bis(4-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[bis(4-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide
PubChem CID57327315
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC NameN-[bis(4-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(C(=NNS(=O)(=O)c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H22N2O2S/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)23-24-27(25,26)21-14-8-18(3)9-15-21/h4-15,24H,1-3H3
InChIKeyWFOKRJGOCZVOQQ-UHFFFAOYSA-N
XLogP4.34
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Benzaldehyde p-Toluenesulfonylhydrazone
CID 5368186
1,3-Diphenylacetone p-tosylhydrazone
CID 88263
N'-(3-allylcyclohexylidene)-4-methylbenzenesulfonohydrazide
CID 6244004
4-methyl-N-[(Z)-1-[(1S,2S)-2-phenylcyclopropyl]ethylideneamino]benzenesulfonamide
CID 11899977
Cyclohexanone p-Toluenesulfonylhydrazone
CID 244768
N'-(1,3-dimethyl-3-phenylbutylidene)benzenesulfonohydrazide
CID 5913345
N-[(E)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzenesulfonamide
CID 6235868
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2,5-dimethylbenzenesulfonamide
CID 9641756
6-(4-butylphenyl)-2-(4-butylphenyl)sulfonyl-4,5-dihydro-3H-pyridazine
CID 10454374
4-[2-[(4-Phenylphenyl)methylideneamino]ethyl]benzenesulfonamide
CID 118716955
4-(4-Benzylphenyl)benzenesulfonamide
CID 122194777
1-Propiophenone tosylhydrazone
CID 280394

Frequently Asked Questions

What is the IUPAC name of N-[bis(4-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[bis(4-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide (CID 57327315) is N-[bis(4-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[bis(4-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[bis(4-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide is Cc1ccc(C(=NNS(=O)(=O)c2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[bis(4-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide?
The InChIKey is WFOKRJGOCZVOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)23-24-27(25,26)21-14-8-18(3)9-15-21/h4-15,24H,1-3H3.
What are the key properties of N-[bis(4-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide?
N-[bis(4-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 378.50 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(4-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 57327315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).