N-(4-hydroxy-2,5-dimethylphenyl)-1,2-dimethylimidazole-4-sulfonamide

C13H17N3O3S — CID 106831909

IUPACN-(4-hydroxy-2,5-dimethylphenyl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cn(C)c(C)n2)c(C)cc1O
InChIInChI=1S/C13H17N3O3S/c1-8-6-12(17)9(2)5-11(8)15-20(18,19)13-7-16(4)10(3)14-13/h5-7,15,17H,1-4H3
InChIKeyKYNULVBQKXSIFU-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.85
Rot. Bonds3

About N-(4-hydroxy-2,5-dimethylphenyl)-1,2-dimethylimidazole-4-sulfonamide

N-(4-hydroxy-2,5-dimethylphenyl)-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 106831909) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(4-hydroxy-2,5-dimethylphenyl)-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,5-dimethylphenyl)-1,2-dimethylimidazole-4-sulfonamide
PubChem CID106831909
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-(4-hydroxy-2,5-dimethylphenyl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cn(C)c(C)n2)c(C)cc1O
InChIInChI=1S/C13H17N3O3S/c1-8-6-12(17)9(2)5-11(8)15-20(18,19)13-7-16(4)10(3)14-13/h5-7,15,17H,1-4H3
InChIKeyKYNULVBQKXSIFU-UHFFFAOYSA-N
XLogP1.85
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,5-dimethylphenyl)-1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-(4-hydroxy-2,5-dimethylphenyl)-1,2-dimethylimidazole-4-sulfonamide (CID 106831909) is N-(4-hydroxy-2,5-dimethylphenyl)-1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(4-hydroxy-2,5-dimethylphenyl)-1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-(4-hydroxy-2,5-dimethylphenyl)-1,2-dimethylimidazole-4-sulfonamide is Cc1cc(NS(=O)(=O)c2cn(C)c(C)n2)c(C)cc1O.
What is the InChIKey of N-(4-hydroxy-2,5-dimethylphenyl)-1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is KYNULVBQKXSIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-8-6-12(17)9(2)5-11(8)15-20(18,19)13-7-16(4)10(3)14-13/h5-7,15,17H,1-4H3.
What are the key properties of N-(4-hydroxy-2,5-dimethylphenyl)-1,2-dimethylimidazole-4-sulfonamide?
N-(4-hydroxy-2,5-dimethylphenyl)-1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 295.36 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,5-dimethylphenyl)-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 106831909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).