N-[(E)-1H-imidazol-2-ylmethylideneamino]-4-methylbenzenesulfonamide

C11H12N4O2S — CID 135952314

IUPACN-[(E)-1H-imidazol-2-ylmethylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2ncc[nH]2)cc1
InChIInChI=1S/C11H12N4O2S/c1-9-2-4-10(5-3-9)18(16,17)15-14-8-11-12-6-7-13-11/h2-8,15H,1H3,(H,12,13)/b14-8+
InChIKeyJEHZUMDINOWZCW-RIYZIHGNSA-N
MW264.31 g/mol
LogP1.03
Rot. Bonds4

About N-[(E)-1H-imidazol-2-ylmethylideneamino]-4-methylbenzenesulfonamide

N-[(E)-1H-imidazol-2-ylmethylideneamino]-4-methylbenzenesulfonamide (PubChem CID 135952314) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is N-[(E)-1H-imidazol-2-ylmethylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-1H-imidazol-2-ylmethylideneamino]-4-methylbenzenesulfonamide
PubChem CID135952314
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC NameN-[(E)-1H-imidazol-2-ylmethylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2ncc[nH]2)cc1
InChIInChI=1S/C11H12N4O2S/c1-9-2-4-10(5-3-9)18(16,17)15-14-8-11-12-6-7-13-11/h2-8,15H,1H3,(H,12,13)/b14-8+
InChIKeyJEHZUMDINOWZCW-RIYZIHGNSA-N
XLogP1.03
TPSA87.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.03
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'}

Analyze N-[(E)-1H-imidazol-2-ylmethylideneamino]-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1H-imidazol-2-ylmethylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(E)-1H-imidazol-2-ylmethylideneamino]-4-methylbenzenesulfonamide (CID 135952314) is N-[(E)-1H-imidazol-2-ylmethylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-1H-imidazol-2-ylmethylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(E)-1H-imidazol-2-ylmethylideneamino]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C/c2ncc[nH]2)cc1.
What is the InChIKey of N-[(E)-1H-imidazol-2-ylmethylideneamino]-4-methylbenzenesulfonamide?
The InChIKey is JEHZUMDINOWZCW-RIYZIHGNSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-9-2-4-10(5-3-9)18(16,17)15-14-8-11-12-6-7-13-11/h2-8,15H,1H3,(H,12,13)/b14-8+.
What are the key properties of N-[(E)-1H-imidazol-2-ylmethylideneamino]-4-methylbenzenesulfonamide?
N-[(E)-1H-imidazol-2-ylmethylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 264.31 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1H-imidazol-2-ylmethylideneamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 135952314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).