1-(4-bromo-2-methylphenyl)sulfonyl-2-methylimidazole

C11H11BrN2O2S — CID 748169

IUPAC1-(4-bromo-2-methylphenyl)sulfonyl-2-methylimidazole
SMILESCc1cc(Br)ccc1S(=O)(=O)n1ccnc1C
InChIInChI=1S/C11H11BrN2O2S/c1-8-7-10(12)3-4-11(8)17(15,16)14-6-5-13-9(14)2/h3-7H,1-2H3
InChIKeyNVPWYFZQMBFSNT-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.50
Rot. Bonds2

About 1-(4-bromo-2-methylphenyl)sulfonyl-2-methylimidazole

1-(4-bromo-2-methylphenyl)sulfonyl-2-methylimidazole (PubChem CID 748169) has the molecular formula C11H11BrN2O2S and a molecular weight of 315.19 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)sulfonyl-2-methylimidazole.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)sulfonyl-2-methylimidazole
PubChem CID748169
Molecular FormulaC11H11BrN2O2S
Molecular Weight315.19 g/mol
Exact Mass313.97
IUPAC Name1-(4-bromo-2-methylphenyl)sulfonyl-2-methylimidazole
SMILESCc1cc(Br)ccc1S(=O)(=O)n1ccnc1C
InChIInChI=1S/C11H11BrN2O2S/c1-8-7-10(12)3-4-11(8)17(15,16)14-6-5-13-9(14)2/h3-7H,1-2H3
InChIKeyNVPWYFZQMBFSNT-UHFFFAOYSA-N
XLogP2.50
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-bromo-2-methylphenyl)sulfonyl-2-methylimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)sulfonyl-2-methylimidazole?
The IUPAC name of 1-(4-bromo-2-methylphenyl)sulfonyl-2-methylimidazole (CID 748169) is 1-(4-bromo-2-methylphenyl)sulfonyl-2-methylimidazole.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)sulfonyl-2-methylimidazole?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)sulfonyl-2-methylimidazole is Cc1cc(Br)ccc1S(=O)(=O)n1ccnc1C.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)sulfonyl-2-methylimidazole?
The InChIKey is NVPWYFZQMBFSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2S/c1-8-7-10(12)3-4-11(8)17(15,16)14-6-5-13-9(14)2/h3-7H,1-2H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)sulfonyl-2-methylimidazole?
1-(4-bromo-2-methylphenyl)sulfonyl-2-methylimidazole has a molecular weight of 315.19 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)sulfonyl-2-methylimidazole is sourced from PubChem (CID 748169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).