N-[(Z)-(4-methylphenyl)methylideneamino]benzenesulfonamide

C14H14N2O2S — CID 5387407

IUPACN-[(Z)-(4-methylphenyl)methylideneamino]benzenesulfonamide
SMILESCc1ccc(/C=N\NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C14H14N2O2S/c1-12-7-9-13(10-8-12)11-15-16-19(17,18)14-5-3-2-4-6-14/h2-11,16H,1H3/b15-11-
InChIKeyQLNFPAAQLQIDCN-PTNGSMBKSA-N
MW274.35 g/mol
LogP2.31
Rot. Bonds4

About N-[(Z)-(4-methylphenyl)methylideneamino]benzenesulfonamide

N-[(Z)-(4-methylphenyl)methylideneamino]benzenesulfonamide (PubChem CID 5387407) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-[(Z)-(4-methylphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-(4-methylphenyl)methylideneamino]benzenesulfonamide
PubChem CID5387407
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC NameN-[(Z)-(4-methylphenyl)methylideneamino]benzenesulfonamide
SMILESCc1ccc(/C=N\NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C14H14N2O2S/c1-12-7-9-13(10-8-12)11-15-16-19(17,18)14-5-3-2-4-6-14/h2-11,16H,1H3/b15-11-
InChIKeyQLNFPAAQLQIDCN-PTNGSMBKSA-N
XLogP2.31
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.31
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

4-methyl-N-[(E)-[4-[(E)-2-phenylethenyl]phenyl]methylideneamino]benzenesulfonamide
CID 162516902
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
N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide
CID 3660828
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzenesulfonamide
CID 5335146
N-[(E)-(4-methylphenyl)methylideneamino]-3-nitrobenzenesulfonamide
CID 110517404
benzaldehyde;N-[(E)-benzylideneamino]-4-methylbenzenesulfonamide;bis(carbon dioxide);methanol;4-methylbenzenesulfonohydrazide
CID 172943404
4-methyl-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]benzenesulfonamide
CID 129072059
N-[(4-fluoro-3-phenoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 138455349
N-[3-[(E)-(benzenesulfonylhydrazinylidene)methyl]phenyl]-4-methylbenzamide
CID 6910126
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 6042730

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-methylphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of N-[(Z)-(4-methylphenyl)methylideneamino]benzenesulfonamide (CID 5387407) is N-[(Z)-(4-methylphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(Z)-(4-methylphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(Z)-(4-methylphenyl)methylideneamino]benzenesulfonamide is Cc1ccc(/C=N\NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[(Z)-(4-methylphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is QLNFPAAQLQIDCN-PTNGSMBKSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-12-7-9-13(10-8-12)11-15-16-19(17,18)14-5-3-2-4-6-14/h2-11,16H,1H3/b15-11-.
What are the key properties of N-[(Z)-(4-methylphenyl)methylideneamino]benzenesulfonamide?
N-[(Z)-(4-methylphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 274.35 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-methylphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 5387407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).