4-(1H-imidazol-2-ylmethylideneamino)benzenesulfonamide

C10H10N4O2S — CID 135411191

IUPAC4-(1H-imidazol-2-ylmethylideneamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C/c2ncc[nH]2)cc1
InChIInChI=1S/C10H10N4O2S/c11-17(15,16)9-3-1-8(2-4-9)14-7-10-12-5-6-13-10/h1-7H,(H,12,13)(H2,11,15,16)/b14-7+
InChIKeyKEZZYCQFVMWFJF-VGOFMYFVSA-N
MW250.28 g/mol
LogP0.81
Rot. Bonds3

About 4-(1H-imidazol-2-ylmethylideneamino)benzenesulfonamide

4-(1H-imidazol-2-ylmethylideneamino)benzenesulfonamide (PubChem CID 135411191) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is 4-(1H-imidazol-2-ylmethylideneamino)benzenesulfonamide.

Molecular Properties

Compound Name4-(1H-imidazol-2-ylmethylideneamino)benzenesulfonamide
PubChem CID135411191
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name4-(1H-imidazol-2-ylmethylideneamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C/c2ncc[nH]2)cc1
InChIInChI=1S/C10H10N4O2S/c11-17(15,16)9-3-1-8(2-4-9)14-7-10-12-5-6-13-10/h1-7H,(H,12,13)(H2,11,15,16)/b14-7+
InChIKeyKEZZYCQFVMWFJF-VGOFMYFVSA-N
XLogP0.81
TPSA101.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-ylmethylideneamino)benzenesulfonamide?
The IUPAC name of 4-(1H-imidazol-2-ylmethylideneamino)benzenesulfonamide (CID 135411191) is 4-(1H-imidazol-2-ylmethylideneamino)benzenesulfonamide.
What is the SMILES notation for 4-(1H-imidazol-2-ylmethylideneamino)benzenesulfonamide?
The canonical SMILES for 4-(1H-imidazol-2-ylmethylideneamino)benzenesulfonamide is NS(=O)(=O)c1ccc(/N=C/c2ncc[nH]2)cc1.
What is the InChIKey of 4-(1H-imidazol-2-ylmethylideneamino)benzenesulfonamide?
The InChIKey is KEZZYCQFVMWFJF-VGOFMYFVSA-N. The full InChI is InChI=1S/C10H10N4O2S/c11-17(15,16)9-3-1-8(2-4-9)14-7-10-12-5-6-13-10/h1-7H,(H,12,13)(H2,11,15,16)/b14-7+.
What are the key properties of 4-(1H-imidazol-2-ylmethylideneamino)benzenesulfonamide?
4-(1H-imidazol-2-ylmethylideneamino)benzenesulfonamide has a molecular weight of 250.28 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-ylmethylideneamino)benzenesulfonamide is sourced from PubChem (CID 135411191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).