2,5-dibromo-1H-benzimidazole-4-sulfonyl chloride

C7H3Br2ClN2O2S — CID 131585542

IUPAC2,5-dibromo-1H-benzimidazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1c(Br)ccc2[nH]c(Br)nc12
InChIInChI=1S/C7H3Br2ClN2O2S/c8-3-1-2-4-5(12-7(9)11-4)6(3)15(10,13)14/h1-2H,(H,11,12)
InChIKeyBZMMKIUTQYIVBQ-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.02
Rot. Bonds1

About 2,5-dibromo-1H-benzimidazole-4-sulfonyl chloride

2,5-dibromo-1H-benzimidazole-4-sulfonyl chloride (PubChem CID 131585542) has the molecular formula C7H3Br2ClN2O2S and a molecular weight of 374.44 g/mol. Its IUPAC name is 2,5-dibromo-1H-benzimidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name2,5-dibromo-1H-benzimidazole-4-sulfonyl chloride
PubChem CID131585542
Molecular FormulaC7H3Br2ClN2O2S
Molecular Weight374.44 g/mol
Exact Mass371.80
IUPAC Name2,5-dibromo-1H-benzimidazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1c(Br)ccc2[nH]c(Br)nc12
InChIInChI=1S/C7H3Br2ClN2O2S/c8-3-1-2-4-5(12-7(9)11-4)6(3)15(10,13)14/h1-2H,(H,11,12)
InChIKeyBZMMKIUTQYIVBQ-UHFFFAOYSA-N
XLogP3.02
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-(difluoromethoxy)-1H-benzimidazole-4-sulfonyl chloride
CID 131477894
2,4-dibromo-1H-benzimidazole-5-carboxylic acid
CID 131190484
2-bromo-4-methyl-1H-benzimidazole-5-carboxylic acid
CID 130051813
2-bromo-4-(chloromethyl)-1H-benzimidazole
CID 130968724
6-bromo-2-methyl-1,3-benzothiazole-7-sulfonyl chloride
CID 75481572
6-bromo-2-chloro-3-nitrobenzenesulfonyl chloride
CID 172969836
6-bromo-3-fluoro-2-hydroxybenzenesulfonyl chloride
CID 130776377
2,4,6-tribromo-1H-benzimidazole
CID 130864001
2-bromo-4-(bromomethyl)-5-(difluoromethyl)-1H-benzimidazole
CID 131475908
5-nitro-1H-benzimidazole-4-sulfonyl chloride
CID 131479443
2-bromo-6-chloro-4-fluoro-1H-benzimidazole
CID 130895995
2-bromo-6-phenylbenzenesulfonyl chloride
CID 22318135

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-1H-benzimidazole-4-sulfonyl chloride?
The IUPAC name of 2,5-dibromo-1H-benzimidazole-4-sulfonyl chloride (CID 131585542) is 2,5-dibromo-1H-benzimidazole-4-sulfonyl chloride.
What is the SMILES notation for 2,5-dibromo-1H-benzimidazole-4-sulfonyl chloride?
The canonical SMILES for 2,5-dibromo-1H-benzimidazole-4-sulfonyl chloride is O=S(=O)(Cl)c1c(Br)ccc2[nH]c(Br)nc12.
What is the InChIKey of 2,5-dibromo-1H-benzimidazole-4-sulfonyl chloride?
The InChIKey is BZMMKIUTQYIVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Br2ClN2O2S/c8-3-1-2-4-5(12-7(9)11-4)6(3)15(10,13)14/h1-2H,(H,11,12).
What are the key properties of 2,5-dibromo-1H-benzimidazole-4-sulfonyl chloride?
2,5-dibromo-1H-benzimidazole-4-sulfonyl chloride has a molecular weight of 374.44 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-1H-benzimidazole-4-sulfonyl chloride is sourced from PubChem (CID 131585542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).