6-bromo-3H-benzimidazole-5-sulfonyl chloride

C7H4BrClN2O2S — CID 130892663

IUPAC6-bromo-3H-benzimidazole-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc2[nH]cnc2cc1Br
InChIInChI=1S/C7H4BrClN2O2S/c8-4-1-5-6(11-3-10-5)2-7(4)14(9,12)13/h1-3H,(H,10,11)
InChIKeyYAUMJGYERVNUNW-UHFFFAOYSA-N
MW295.55 g/mol
LogP2.25
Rot. Bonds1

About 6-bromo-3H-benzimidazole-5-sulfonyl chloride

6-bromo-3H-benzimidazole-5-sulfonyl chloride (PubChem CID 130892663) has the molecular formula C7H4BrClN2O2S and a molecular weight of 295.55 g/mol. Its IUPAC name is 6-bromo-3H-benzimidazole-5-sulfonyl chloride.

Molecular Properties

Compound Name6-bromo-3H-benzimidazole-5-sulfonyl chloride
PubChem CID130892663
Molecular FormulaC7H4BrClN2O2S
Molecular Weight295.55 g/mol
Exact Mass293.89
IUPAC Name6-bromo-3H-benzimidazole-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc2[nH]cnc2cc1Br
InChIInChI=1S/C7H4BrClN2O2S/c8-4-1-5-6(11-3-10-5)2-7(4)14(9,12)13/h1-3H,(H,10,11)
InChIKeyYAUMJGYERVNUNW-UHFFFAOYSA-N
XLogP2.25
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.55
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3H-benzimidazole-5-sulfonyl chloride?
The IUPAC name of 6-bromo-3H-benzimidazole-5-sulfonyl chloride (CID 130892663) is 6-bromo-3H-benzimidazole-5-sulfonyl chloride.
What is the SMILES notation for 6-bromo-3H-benzimidazole-5-sulfonyl chloride?
The canonical SMILES for 6-bromo-3H-benzimidazole-5-sulfonyl chloride is O=S(=O)(Cl)c1cc2[nH]cnc2cc1Br.
What is the InChIKey of 6-bromo-3H-benzimidazole-5-sulfonyl chloride?
The InChIKey is YAUMJGYERVNUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClN2O2S/c8-4-1-5-6(11-3-10-5)2-7(4)14(9,12)13/h1-3H,(H,10,11).
What are the key properties of 6-bromo-3H-benzimidazole-5-sulfonyl chloride?
6-bromo-3H-benzimidazole-5-sulfonyl chloride has a molecular weight of 295.55 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3H-benzimidazole-5-sulfonyl chloride is sourced from PubChem (CID 130892663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).