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

C12H15N3O3S — CID 106831921

IUPACN-(4-hydroxy-2,5-dimethylphenyl)-1-methylimidazole-4-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cn(C)cn2)c(C)cc1O
InChIInChI=1S/C12H15N3O3S/c1-8-5-11(16)9(2)4-10(8)14-19(17,18)12-6-15(3)7-13-12/h4-7,14,16H,1-3H3
InChIKeyGQZNIQYWYWEGHI-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.54
Rot. Bonds3

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

N-(4-hydroxy-2,5-dimethylphenyl)-1-methylimidazole-4-sulfonamide (PubChem CID 106831921) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-(4-hydroxy-2,5-dimethylphenyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,5-dimethylphenyl)-1-methylimidazole-4-sulfonamide
PubChem CID106831921
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC NameN-(4-hydroxy-2,5-dimethylphenyl)-1-methylimidazole-4-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cn(C)cn2)c(C)cc1O
InChIInChI=1S/C12H15N3O3S/c1-8-5-11(16)9(2)4-10(8)14-19(17,18)12-6-15(3)7-13-12/h4-7,14,16H,1-3H3
InChIKeyGQZNIQYWYWEGHI-UHFFFAOYSA-N
XLogP1.54
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.54
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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Related Compounds

N-(4-hydroxy-2,5-dimethylphenyl)-1,2-dimethylimidazole-4-sulfonamide
CID 106831909
N-(2-hydroxy-5-methylphenyl)-1-methylimidazole-4-sulfonamide
CID 55068186
N-(3-hydroxy-4-methylphenyl)-1-methylimidazole-4-sulfonamide
CID 64794060
N-(4-bromo-2-hydroxyphenyl)-1-methylimidazole-4-sulfonamide
CID 71927149
N-[5-(aminomethyl)-2-methylphenyl]-1-methylimidazole-4-sulfonamide
CID 62373444
N-(4-bromo-3,5-dimethylphenyl)-1-methylimidazole-4-sulfonamide
CID 103580445
3,5-dimethyl-2-[(1-methylimidazol-4-yl)sulfonylamino]benzoic acid
CID 62780873
N-(2-amino-4-bromophenyl)-1-methylimidazole-4-sulfonamide
CID 62374944
2-hydroxy-4-[(1-methylimidazol-4-yl)sulfonylamino]benzoic acid
CID 62375790
1-hydroxy-2,5-dimethyl-4-(sulfamoylamino)benzene
CID 106954609
1-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)imidazole-4-sulfonamide
CID 146090333
N-(4-amino-2-fluorophenyl)-1-methylimidazole-4-sulfonamide
CID 62375279

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,5-dimethylphenyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(4-hydroxy-2,5-dimethylphenyl)-1-methylimidazole-4-sulfonamide (CID 106831921) is N-(4-hydroxy-2,5-dimethylphenyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(4-hydroxy-2,5-dimethylphenyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(4-hydroxy-2,5-dimethylphenyl)-1-methylimidazole-4-sulfonamide is Cc1cc(NS(=O)(=O)c2cn(C)cn2)c(C)cc1O.
What is the InChIKey of N-(4-hydroxy-2,5-dimethylphenyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is GQZNIQYWYWEGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-8-5-11(16)9(2)4-10(8)14-19(17,18)12-6-15(3)7-13-12/h4-7,14,16H,1-3H3.
What are the key properties of N-(4-hydroxy-2,5-dimethylphenyl)-1-methylimidazole-4-sulfonamide?
N-(4-hydroxy-2,5-dimethylphenyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 281.34 g/mol, XLogP of 1.54, 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-methylimidazole-4-sulfonamide is sourced from PubChem (CID 106831921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).