N-(4-bromo-2-hydroxyphenyl)-1-methylimidazole-4-sulfonamide

C10H10BrN3O3S — CID 71927149

IUPACN-(4-bromo-2-hydroxyphenyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc(Br)cc2O)c1
InChIInChI=1S/C10H10BrN3O3S/c1-14-5-10(12-6-14)18(16,17)13-8-3-2-7(11)4-9(8)15/h2-6,13,15H,1H3
InChIKeyBOUZQFRWJZFGII-UHFFFAOYSA-N
MW332.18 g/mol
LogP1.69
Rot. Bonds3

About N-(4-bromo-2-hydroxyphenyl)-1-methylimidazole-4-sulfonamide

N-(4-bromo-2-hydroxyphenyl)-1-methylimidazole-4-sulfonamide (PubChem CID 71927149) has the molecular formula C10H10BrN3O3S and a molecular weight of 332.18 g/mol. Its IUPAC name is N-(4-bromo-2-hydroxyphenyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-hydroxyphenyl)-1-methylimidazole-4-sulfonamide
PubChem CID71927149
Molecular FormulaC10H10BrN3O3S
Molecular Weight332.18 g/mol
Exact Mass330.96
IUPAC NameN-(4-bromo-2-hydroxyphenyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc(Br)cc2O)c1
InChIInChI=1S/C10H10BrN3O3S/c1-14-5-10(12-6-14)18(16,17)13-8-3-2-7(11)4-9(8)15/h2-6,13,15H,1H3
InChIKeyBOUZQFRWJZFGII-UHFFFAOYSA-N
XLogP1.69
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.18
LogP ≤ 51.69
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-(4-bromo-2-hydroxyphenyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(4-bromo-2-hydroxyphenyl)-1-methylimidazole-4-sulfonamide (CID 71927149) is N-(4-bromo-2-hydroxyphenyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(4-bromo-2-hydroxyphenyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(4-bromo-2-hydroxyphenyl)-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2ccc(Br)cc2O)c1.
What is the InChIKey of N-(4-bromo-2-hydroxyphenyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is BOUZQFRWJZFGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O3S/c1-14-5-10(12-6-14)18(16,17)13-8-3-2-7(11)4-9(8)15/h2-6,13,15H,1H3.
What are the key properties of N-(4-bromo-2-hydroxyphenyl)-1-methylimidazole-4-sulfonamide?
N-(4-bromo-2-hydroxyphenyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 332.18 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-hydroxyphenyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 71927149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).