2-phenyl-3H-benzimidazole-5-sulfonyl chloride

C13H9ClN2O2S — CID 19593954

IUPAC2-phenyl-3H-benzimidazole-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C13H9ClN2O2S/c14-19(17,18)10-6-7-11-12(8-10)16-13(15-11)9-4-2-1-3-5-9/h1-8H,(H,15,16)
InChIKeyVQRYFZAADGPXBH-UHFFFAOYSA-N
MW292.75 g/mol
LogP3.16
Rot. Bonds2

About 2-phenyl-3H-benzimidazole-5-sulfonyl chloride

2-phenyl-3H-benzimidazole-5-sulfonyl chloride (PubChem CID 19593954) has the molecular formula C13H9ClN2O2S and a molecular weight of 292.75 g/mol. Its IUPAC name is 2-phenyl-3H-benzimidazole-5-sulfonyl chloride.

Molecular Properties

Compound Name2-phenyl-3H-benzimidazole-5-sulfonyl chloride
PubChem CID19593954
Molecular FormulaC13H9ClN2O2S
Molecular Weight292.75 g/mol
Exact Mass292.01
IUPAC Name2-phenyl-3H-benzimidazole-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C13H9ClN2O2S/c14-19(17,18)10-6-7-11-12(8-10)16-13(15-11)9-4-2-1-3-5-9/h1-8H,(H,15,16)
InChIKeyVQRYFZAADGPXBH-UHFFFAOYSA-N
XLogP3.16
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3H-benzimidazole-5-sulfonyl chloride?
The IUPAC name of 2-phenyl-3H-benzimidazole-5-sulfonyl chloride (CID 19593954) is 2-phenyl-3H-benzimidazole-5-sulfonyl chloride.
What is the SMILES notation for 2-phenyl-3H-benzimidazole-5-sulfonyl chloride?
The canonical SMILES for 2-phenyl-3H-benzimidazole-5-sulfonyl chloride is O=S(=O)(Cl)c1ccc2nc(-c3ccccc3)[nH]c2c1.
What is the InChIKey of 2-phenyl-3H-benzimidazole-5-sulfonyl chloride?
The InChIKey is VQRYFZAADGPXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O2S/c14-19(17,18)10-6-7-11-12(8-10)16-13(15-11)9-4-2-1-3-5-9/h1-8H,(H,15,16).
What are the key properties of 2-phenyl-3H-benzimidazole-5-sulfonyl chloride?
2-phenyl-3H-benzimidazole-5-sulfonyl chloride has a molecular weight of 292.75 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3H-benzimidazole-5-sulfonyl chloride is sourced from PubChem (CID 19593954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).