4-[(4-methylphenyl)methylideneamino]benzenesulfonamide

C14H14N2O2S — CID 690836

IUPAC4-[(4-methylphenyl)methylideneamino]benzenesulfonamide
SMILESCc1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C14H14N2O2S/c1-11-2-4-12(5-3-11)10-16-13-6-8-14(9-7-13)19(15,17)18/h2-10H,1H3,(H2,15,17,18)/b16-10+
InChIKeySOHFVFXITPDEDK-MHWRWJLKSA-N
MW274.35 g/mol
LogP2.39
Rot. Bonds3

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

4-[(4-methylphenyl)methylideneamino]benzenesulfonamide (PubChem CID 690836) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 4-[(4-methylphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-methylphenyl)methylideneamino]benzenesulfonamide
PubChem CID690836
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name4-[(4-methylphenyl)methylideneamino]benzenesulfonamide
SMILESCc1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C14H14N2O2S/c1-11-2-4-12(5-3-11)10-16-13-6-8-14(9-7-13)19(15,17)18/h2-10H,1H3,(H2,15,17,18)/b16-10+
InChIKeySOHFVFXITPDEDK-MHWRWJLKSA-N
XLogP2.39
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-benzylbenzene-1-sulfonamide
CID 66909
4-(Benzylideneamino)benzenesulfonamide
CID 308405
4-(4-Nitro-benzylideneamino)-benzenesulfonamide
CID 564225
4-((4-(Dimethylamino)benzylidene)amino)benzenesulfonamide
CID 308411
4-Phenyliminomethyl-benzenesulfonamide
CID 44456679
4-(Benzylideneamino)-3-fluorobenzenesulfonamide
CID 118716952
4-{2-[(E)-{[4-(dimethylamino)phenyl]methylidene}amino]ethyl}benzene-1-sulfonamide
CID 2368997
4-({(E)-[4-((E)-{[4-(Aminosulfonyl)phenyl]imino}methyl)phenyl]methylidene}amino)benzenesulfonamide
CID 3426384
4-(4-Tert-butylbenzylideneamino)benzenesulfonamide
CID 45483195
3-Fluoro-4-[(4-phenylphenyl)methylideneamino]benzenesulfonamide
CID 118716954
4-[[2-[(4-Sulfamoylphenyl)iminomethyl]phenyl]methylideneamino]benzenesulfonamide
CID 137645654
4-[[3-[(4-Sulfamoylphenyl)iminomethyl]phenyl]methylideneamino]benzenesulfonamide
CID 137649376

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-[(4-methylphenyl)methylideneamino]benzenesulfonamide (CID 690836) is 4-[(4-methylphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-[(4-methylphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-[(4-methylphenyl)methylideneamino]benzenesulfonamide is Cc1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is SOHFVFXITPDEDK-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-11-2-4-12(5-3-11)10-16-13-6-8-14(9-7-13)19(15,17)18/h2-10H,1H3,(H2,15,17,18)/b16-10+.
What are the key properties of 4-[(4-methylphenyl)methylideneamino]benzenesulfonamide?
4-[(4-methylphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 274.35 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 690836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).