4-methyl-N-[(E)-[4-[(E)-2-phenylethenyl]phenyl]methylideneamino]benzenesulfonamide

C22H20N2O2S — CID 162516902

IUPAC4-methyl-N-[(E)-[4-[(E)-2-phenylethenyl]phenyl]methylideneamino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2ccc(/C=C/c3ccccc3)cc2)cc1
InChIInChI=1S/C22H20N2O2S/c1-18-7-15-22(16-8-18)27(25,26)24-23-17-21-13-11-20(12-14-21)10-9-19-5-3-2-4-6-19/h2-17,24H,1H3/b10-9+,23-17+
InChIKeyYBNAZJOVLKWZKI-MUVRPNDMSA-N
MW376.48 g/mol
LogP4.48
Rot. Bonds6

About 4-methyl-N-[(E)-[4-[(E)-2-phenylethenyl]phenyl]methylideneamino]benzenesulfonamide

4-methyl-N-[(E)-[4-[(E)-2-phenylethenyl]phenyl]methylideneamino]benzenesulfonamide (PubChem CID 162516902) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is 4-methyl-N-[(E)-[4-[(E)-2-phenylethenyl]phenyl]methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(E)-[4-[(E)-2-phenylethenyl]phenyl]methylideneamino]benzenesulfonamide
PubChem CID162516902
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC Name4-methyl-N-[(E)-[4-[(E)-2-phenylethenyl]phenyl]methylideneamino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2ccc(/C=C/c3ccccc3)cc2)cc1
InChIInChI=1S/C22H20N2O2S/c1-18-7-15-22(16-8-18)27(25,26)24-23-17-21-13-11-20(12-14-21)10-9-19-5-3-2-4-6-19/h2-17,24H,1H3/b10-9+,23-17+
InChIKeyYBNAZJOVLKWZKI-MUVRPNDMSA-N
XLogP4.48
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.48
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(4-methylphenyl)methylideneamino]benzenesulfonamide
CID 5387407
benzaldehyde;N-[(E)-benzylideneamino]-4-methylbenzenesulfonamide;bis(carbon dioxide);methanol;4-methylbenzenesulfonohydrazide
CID 172943404
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 6042730
N-[(Z)-benzylideneamino]-4-[2-[4-[[(Z)-benzylideneamino]sulfamoyl]phenyl]ethyl]benzenesulfonamide
CID 125114108
N-[[4-(dimethylamino)phenyl]methylideneamino]benzenesulfonamide
CID 872082
[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenyl] 4-methylbenzoate
CID 5439954
N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 135641596
4-methyl-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]benzenesulfonamide
CID 129072059
4-methyl-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide
CID 7028589
N-[(4-fluoro-3-phenoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 138455349
2-[4-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]phenoxy]propanoic acid
CID 5350476
2-[4-[[(4-methylphenyl)sulfonylhydrazinylidene]methyl]phenoxy]propanoic acid
CID 2897793

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(E)-[4-[(E)-2-phenylethenyl]phenyl]methylideneamino]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(E)-[4-[(E)-2-phenylethenyl]phenyl]methylideneamino]benzenesulfonamide (CID 162516902) is 4-methyl-N-[(E)-[4-[(E)-2-phenylethenyl]phenyl]methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(E)-[4-[(E)-2-phenylethenyl]phenyl]methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(E)-[4-[(E)-2-phenylethenyl]phenyl]methylideneamino]benzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C/c2ccc(/C=C/c3ccccc3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[(E)-[4-[(E)-2-phenylethenyl]phenyl]methylideneamino]benzenesulfonamide?
The InChIKey is YBNAZJOVLKWZKI-MUVRPNDMSA-N. The full InChI is InChI=1S/C22H20N2O2S/c1-18-7-15-22(16-8-18)27(25,26)24-23-17-21-13-11-20(12-14-21)10-9-19-5-3-2-4-6-19/h2-17,24H,1H3/b10-9+,23-17+.
What are the key properties of 4-methyl-N-[(E)-[4-[(E)-2-phenylethenyl]phenyl]methylideneamino]benzenesulfonamide?
4-methyl-N-[(E)-[4-[(E)-2-phenylethenyl]phenyl]methylideneamino]benzenesulfonamide has a molecular weight of 376.48 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-[4-[(E)-2-phenylethenyl]phenyl]methylideneamino]benzenesulfonamide is sourced from PubChem (CID 162516902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).