N-[(Z)-1H-imidazol-2-ylmethylideneamino]-4-methoxybenzenesulfonamide

C11H12N4O3S — CID 136759638

IUPACN-[(Z)-1H-imidazol-2-ylmethylideneamino]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N/N=C\c2ncc[nH]2)cc1
InChIInChI=1S/C11H12N4O3S/c1-18-9-2-4-10(5-3-9)19(16,17)15-14-8-11-12-6-7-13-11/h2-8,15H,1H3,(H,12,13)/b14-8-
InChIKeyPQITUUWPJSODHT-ZSOIEALJSA-N
MW280.31 g/mol
LogP0.73
Rot. Bonds5

About N-[(Z)-1H-imidazol-2-ylmethylideneamino]-4-methoxybenzenesulfonamide

N-[(Z)-1H-imidazol-2-ylmethylideneamino]-4-methoxybenzenesulfonamide (PubChem CID 136759638) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is N-[(Z)-1H-imidazol-2-ylmethylideneamino]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-1H-imidazol-2-ylmethylideneamino]-4-methoxybenzenesulfonamide
PubChem CID136759638
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC NameN-[(Z)-1H-imidazol-2-ylmethylideneamino]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N/N=C\c2ncc[nH]2)cc1
InChIInChI=1S/C11H12N4O3S/c1-18-9-2-4-10(5-3-9)19(16,17)15-14-8-11-12-6-7-13-11/h2-8,15H,1H3,(H,12,13)/b14-8-
InChIKeyPQITUUWPJSODHT-ZSOIEALJSA-N
XLogP0.73
TPSA96.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1H-imidazol-2-ylmethylideneamino]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(Z)-1H-imidazol-2-ylmethylideneamino]-4-methoxybenzenesulfonamide (CID 136759638) is N-[(Z)-1H-imidazol-2-ylmethylideneamino]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(Z)-1H-imidazol-2-ylmethylideneamino]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(Z)-1H-imidazol-2-ylmethylideneamino]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N/N=C\c2ncc[nH]2)cc1.
What is the InChIKey of N-[(Z)-1H-imidazol-2-ylmethylideneamino]-4-methoxybenzenesulfonamide?
The InChIKey is PQITUUWPJSODHT-ZSOIEALJSA-N. The full InChI is InChI=1S/C11H12N4O3S/c1-18-9-2-4-10(5-3-9)19(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-[(Z)-1H-imidazol-2-ylmethylideneamino]-4-methoxybenzenesulfonamide?
N-[(Z)-1H-imidazol-2-ylmethylideneamino]-4-methoxybenzenesulfonamide has a molecular weight of 280.31 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1H-imidazol-2-ylmethylideneamino]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 136759638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).