N-[(2-iodophenyl)methylideneamino]-4-methylbenzenesulfonamide

C14H13IN2O2S — CID 4113219

IUPACN-[(2-iodophenyl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN=Cc2ccccc2I)cc1
InChIInChI=1S/C14H13IN2O2S/c1-11-6-8-13(9-7-11)20(18,19)17-16-10-12-4-2-3-5-14(12)15/h2-10,17H,1H3
InChIKeyWQYLQGDLZIWPNG-UHFFFAOYSA-N
MW400.24 g/mol
LogP2.91
Rot. Bonds4

About N-[(2-iodophenyl)methylideneamino]-4-methylbenzenesulfonamide

N-[(2-iodophenyl)methylideneamino]-4-methylbenzenesulfonamide (PubChem CID 4113219) has the molecular formula C14H13IN2O2S and a molecular weight of 400.24 g/mol. Its IUPAC name is N-[(2-iodophenyl)methylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-iodophenyl)methylideneamino]-4-methylbenzenesulfonamide
PubChem CID4113219
Molecular FormulaC14H13IN2O2S
Molecular Weight400.24 g/mol
Exact Mass399.97
IUPAC NameN-[(2-iodophenyl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN=Cc2ccccc2I)cc1
InChIInChI=1S/C14H13IN2O2S/c1-11-6-8-13(9-7-11)20(18,19)17-16-10-12-4-2-3-5-14(12)15/h2-10,17H,1H3
InChIKeyWQYLQGDLZIWPNG-UHFFFAOYSA-N
XLogP2.91
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.24
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide
CID 5414860
2-[[(4-methylphenyl)sulfonylhydrazinylidene]methyl]benzoic acid
CID 74699055
N-[(E)-[2-(fluoromethyl)phenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 10357801
N-[(2-benzylphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 175789104
N-[(Z)-(4-methylphenyl)methylideneamino]benzenesulfonamide
CID 5387407
N-[(2-fluoro-4-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 174212459
4-methyl-N-[(E)-[4-[(E)-2-phenylethenyl]phenyl]methylideneamino]benzenesulfonamide
CID 162516902
4-fluoro-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide
CID 110516458
N-[(E)-(2-iodophenyl)methylideneamino]-2-nitrobenzenesulfonamide
CID 166438586
4-methyl-N-[(E)-pyren-1-ylmethylideneamino]benzenesulfonamide
CID 15103006
N-[(Z)-(7,12-dimethylbenzo[a]anthracen-5-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 6055016
N-[(E)-(2-iodophenyl)methylideneamino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 55351543

Frequently Asked Questions

What is the IUPAC name of N-[(2-iodophenyl)methylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2-iodophenyl)methylideneamino]-4-methylbenzenesulfonamide (CID 4113219) is N-[(2-iodophenyl)methylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2-iodophenyl)methylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2-iodophenyl)methylideneamino]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NN=Cc2ccccc2I)cc1.
What is the InChIKey of N-[(2-iodophenyl)methylideneamino]-4-methylbenzenesulfonamide?
The InChIKey is WQYLQGDLZIWPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IN2O2S/c1-11-6-8-13(9-7-11)20(18,19)17-16-10-12-4-2-3-5-14(12)15/h2-10,17H,1H3.
What are the key properties of N-[(2-iodophenyl)methylideneamino]-4-methylbenzenesulfonamide?
N-[(2-iodophenyl)methylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 400.24 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-iodophenyl)methylideneamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 4113219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).