(4-bromophenyl) imidazole-1-sulfonate

C9H7BrN2O3S — CID 155926143

IUPAC(4-bromophenyl) imidazole-1-sulfonate
SMILESO=S(=O)(Oc1ccc(Br)cc1)n1ccnc1
InChIInChI=1S/C9H7BrN2O3S/c10-8-1-3-9(4-2-8)15-16(13,14)12-6-5-11-7-12/h1-7H
InChIKeyJPIPRZMFWIESNN-UHFFFAOYSA-N
MW303.14 g/mol
LogP1.82
Rot. Bonds3

About (4-bromophenyl) imidazole-1-sulfonate

(4-bromophenyl) imidazole-1-sulfonate (PubChem CID 155926143) has the molecular formula C9H7BrN2O3S and a molecular weight of 303.14 g/mol. Its IUPAC name is (4-bromophenyl) imidazole-1-sulfonate.

Molecular Properties

Compound Name(4-bromophenyl) imidazole-1-sulfonate
PubChem CID155926143
Molecular FormulaC9H7BrN2O3S
Molecular Weight303.14 g/mol
Exact Mass301.94
IUPAC Name(4-bromophenyl) imidazole-1-sulfonate
SMILESO=S(=O)(Oc1ccc(Br)cc1)n1ccnc1
InChIInChI=1S/C9H7BrN2O3S/c10-8-1-3-9(4-2-8)15-16(13,14)12-6-5-11-7-12/h1-7H
InChIKeyJPIPRZMFWIESNN-UHFFFAOYSA-N
XLogP1.82
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Phenyl 1H-imidazole-1-sulfonate
CID 90409877
2-(4-Bromophenoxy)-1-(2,2-difluoroethyl)imidazole
CID 68280611
2-(4-Bromo-2-fluorophenoxy)-1-methylimidazole
CID 68280612
(4-Fluorophenyl) imidazole-1-sulfonate
CID 131845668
(4-Fluorophenyl) 3-methylimidazol-3-ium-1-sulfonate
CID 142424322
(2-Trimethylsilylphenyl) imidazole-1-sulfonate
CID 57521405
(4-Bromophenyl) 2,3-dimethylimidazol-3-ium-1-sulfonate
CID 66574074
2-(4-Bromo-3-fluorophenoxy)-1-ethylimidazole
CID 65202520
2-(4-Bromo-3-fluorophenoxy)-1-methylimidazole
CID 65202906
1-Phenoxyimidazole
CID 14663892
2-(4-Bromophenoxy)-1-methylimidazole
CID 62132552
(4-Bromophenyl) 2-methylimidazole-1-sulfonate
CID 66574138

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl) imidazole-1-sulfonate?
The IUPAC name of (4-bromophenyl) imidazole-1-sulfonate (CID 155926143) is (4-bromophenyl) imidazole-1-sulfonate.
What is the SMILES notation for (4-bromophenyl) imidazole-1-sulfonate?
The canonical SMILES for (4-bromophenyl) imidazole-1-sulfonate is O=S(=O)(Oc1ccc(Br)cc1)n1ccnc1.
What is the InChIKey of (4-bromophenyl) imidazole-1-sulfonate?
The InChIKey is JPIPRZMFWIESNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O3S/c10-8-1-3-9(4-2-8)15-16(13,14)12-6-5-11-7-12/h1-7H.
What are the key properties of (4-bromophenyl) imidazole-1-sulfonate?
(4-bromophenyl) imidazole-1-sulfonate has a molecular weight of 303.14 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl) imidazole-1-sulfonate is sourced from PubChem (CID 155926143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).