N-(2-hydroxy-5-methylphenyl)-1-methylimidazole-4-sulfonamide

C11H13N3O3S — CID 55068186

IUPACN-(2-hydroxy-5-methylphenyl)-1-methylimidazole-4-sulfonamide
SMILESCc1ccc(O)c(NS(=O)(=O)c2cn(C)cn2)c1
InChIInChI=1S/C11H13N3O3S/c1-8-3-4-10(15)9(5-8)13-18(16,17)11-6-14(2)7-12-11/h3-7,13,15H,1-2H3
InChIKeyYTLLIAYLBQPZBE-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.23
Rot. Bonds3

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

N-(2-hydroxy-5-methylphenyl)-1-methylimidazole-4-sulfonamide (PubChem CID 55068186) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is N-(2-hydroxy-5-methylphenyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-methylphenyl)-1-methylimidazole-4-sulfonamide
PubChem CID55068186
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC NameN-(2-hydroxy-5-methylphenyl)-1-methylimidazole-4-sulfonamide
SMILESCc1ccc(O)c(NS(=O)(=O)c2cn(C)cn2)c1
InChIInChI=1S/C11H13N3O3S/c1-8-3-4-10(15)9(5-8)13-18(16,17)11-6-14(2)7-12-11/h3-7,13,15H,1-2H3
InChIKeyYTLLIAYLBQPZBE-UHFFFAOYSA-N
XLogP1.23
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-methylphenyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(2-hydroxy-5-methylphenyl)-1-methylimidazole-4-sulfonamide (CID 55068186) is N-(2-hydroxy-5-methylphenyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-5-methylphenyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(2-hydroxy-5-methylphenyl)-1-methylimidazole-4-sulfonamide is Cc1ccc(O)c(NS(=O)(=O)c2cn(C)cn2)c1.
What is the InChIKey of N-(2-hydroxy-5-methylphenyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is YTLLIAYLBQPZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-8-3-4-10(15)9(5-8)13-18(16,17)11-6-14(2)7-12-11/h3-7,13,15H,1-2H3.
What are the key properties of N-(2-hydroxy-5-methylphenyl)-1-methylimidazole-4-sulfonamide?
N-(2-hydroxy-5-methylphenyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 267.31 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-methylphenyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 55068186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).