N-[3-[(E)-(benzenesulfonylhydrazinylidene)methyl]phenyl]-4-methylbenzamide

C21H19N3O3S — CID 6910126

IUPACN-[3-[(E)-(benzenesulfonylhydrazinylidene)methyl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(/C=N/NS(=O)(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C21H19N3O3S/c1-16-10-12-18(13-11-16)21(25)23-19-7-5-6-17(14-19)15-22-24-28(26,27)20-8-3-2-4-9-20/h2-15,24H,1H3,(H,23,25)/b22-15+
InChIKeyXAUAOQKMIBTPGA-PXLXIMEGSA-N
MW393.47 g/mol
LogP3.56
Rot. Bonds6

About N-[3-[(E)-(benzenesulfonylhydrazinylidene)methyl]phenyl]-4-methylbenzamide

N-[3-[(E)-(benzenesulfonylhydrazinylidene)methyl]phenyl]-4-methylbenzamide (PubChem CID 6910126) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[3-[(E)-(benzenesulfonylhydrazinylidene)methyl]phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-[(E)-(benzenesulfonylhydrazinylidene)methyl]phenyl]-4-methylbenzamide
PubChem CID6910126
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC NameN-[3-[(E)-(benzenesulfonylhydrazinylidene)methyl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(/C=N/NS(=O)(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C21H19N3O3S/c1-16-10-12-18(13-11-16)21(25)23-19-7-5-6-17(14-19)15-22-24-28(26,27)20-8-3-2-4-9-20/h2-15,24H,1H3,(H,23,25)/b22-15+
InChIKeyXAUAOQKMIBTPGA-PXLXIMEGSA-N
XLogP3.56
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 6042730
N-(3-formylphenyl)-4-methylbenzamide
CID 2339361
N-[3-(benzenesulfonamido)-4-methylphenyl]-4-methylbenzamide
CID 55705717
[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenyl] 4-methylbenzoate
CID 5439954
N-[(3-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 2692691
[5-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methylbenzoate
CID 6872737
4-methyl-N-[(E)-[4-[(E)-2-phenylethenyl]phenyl]methylideneamino]benzenesulfonamide
CID 162516902
N-[(3-hydroxyphenyl)methylideneamino]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 4141300
4-methyl-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide
CID 7028589
N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzamide
CID 3293465
benzaldehyde;N-[(E)-benzylideneamino]-4-methylbenzenesulfonamide;bis(carbon dioxide);methanol;4-methylbenzenesulfonohydrazide
CID 172943404
4-chloro-N-[3-[(E)-[(4-sulfamoylphenyl)hydrazinylidene]methyl]phenyl]benzamide
CID 18267434

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-(benzenesulfonylhydrazinylidene)methyl]phenyl]-4-methylbenzamide?
The IUPAC name of N-[3-[(E)-(benzenesulfonylhydrazinylidene)methyl]phenyl]-4-methylbenzamide (CID 6910126) is N-[3-[(E)-(benzenesulfonylhydrazinylidene)methyl]phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[3-[(E)-(benzenesulfonylhydrazinylidene)methyl]phenyl]-4-methylbenzamide?
The canonical SMILES for N-[3-[(E)-(benzenesulfonylhydrazinylidene)methyl]phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2cccc(/C=N/NS(=O)(=O)c3ccccc3)c2)cc1.
What is the InChIKey of N-[3-[(E)-(benzenesulfonylhydrazinylidene)methyl]phenyl]-4-methylbenzamide?
The InChIKey is XAUAOQKMIBTPGA-PXLXIMEGSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-16-10-12-18(13-11-16)21(25)23-19-7-5-6-17(14-19)15-22-24-28(26,27)20-8-3-2-4-9-20/h2-15,24H,1H3,(H,23,25)/b22-15+.
What are the key properties of N-[3-[(E)-(benzenesulfonylhydrazinylidene)methyl]phenyl]-4-methylbenzamide?
N-[3-[(E)-(benzenesulfonylhydrazinylidene)methyl]phenyl]-4-methylbenzamide has a molecular weight of 393.47 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-(benzenesulfonylhydrazinylidene)methyl]phenyl]-4-methylbenzamide is sourced from PubChem (CID 6910126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).