1-(3-bromophenyl)sulfonyl-2-methylimidazole

C10H9BrN2O2S — CID 59803458

IUPAC1-(3-bromophenyl)sulfonyl-2-methylimidazole
SMILESCc1nccn1S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C10H9BrN2O2S/c1-8-12-5-6-13(8)16(14,15)10-4-2-3-9(11)7-10/h2-7H,1H3
InChIKeyLMZQPEFGMQKPSR-UHFFFAOYSA-N
MW301.17 g/mol
LogP2.19
Rot. Bonds2

About 1-(3-bromophenyl)sulfonyl-2-methylimidazole

1-(3-bromophenyl)sulfonyl-2-methylimidazole (PubChem CID 59803458) has the molecular formula C10H9BrN2O2S and a molecular weight of 301.17 g/mol. Its IUPAC name is 1-(3-bromophenyl)sulfonyl-2-methylimidazole.

Molecular Properties

Compound Name1-(3-bromophenyl)sulfonyl-2-methylimidazole
PubChem CID59803458
Molecular FormulaC10H9BrN2O2S
Molecular Weight301.17 g/mol
Exact Mass299.96
IUPAC Name1-(3-bromophenyl)sulfonyl-2-methylimidazole
SMILESCc1nccn1S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C10H9BrN2O2S/c1-8-12-5-6-13(8)16(14,15)10-4-2-3-9(11)7-10/h2-7H,1H3
InChIKeyLMZQPEFGMQKPSR-UHFFFAOYSA-N
XLogP2.19
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)sulfonyl-2-methylimidazole?
The IUPAC name of 1-(3-bromophenyl)sulfonyl-2-methylimidazole (CID 59803458) is 1-(3-bromophenyl)sulfonyl-2-methylimidazole.
What is the SMILES notation for 1-(3-bromophenyl)sulfonyl-2-methylimidazole?
The canonical SMILES for 1-(3-bromophenyl)sulfonyl-2-methylimidazole is Cc1nccn1S(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)sulfonyl-2-methylimidazole?
The InChIKey is LMZQPEFGMQKPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2S/c1-8-12-5-6-13(8)16(14,15)10-4-2-3-9(11)7-10/h2-7H,1H3.
What are the key properties of 1-(3-bromophenyl)sulfonyl-2-methylimidazole?
1-(3-bromophenyl)sulfonyl-2-methylimidazole has a molecular weight of 301.17 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)sulfonyl-2-methylimidazole is sourced from PubChem (CID 59803458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).