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

C13H10Cl2N2O2S — CID 50988466

IUPAC2-phenyl-3H-benzimidazole-5-sulfonyl chloride;hydrochloride
SMILESCl.O=S(=O)(Cl)c1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C13H9ClN2O2S.ClH/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);1H
InChIKeyGZTFFKPDBUXAKB-UHFFFAOYSA-N
MW329.21 g/mol
LogP3.58
Rot. Bonds2

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

2-phenyl-3H-benzimidazole-5-sulfonyl chloride;hydrochloride (PubChem CID 50988466) has the molecular formula C13H10Cl2N2O2S and a molecular weight of 329.21 g/mol. Its IUPAC name is 2-phenyl-3H-benzimidazole-5-sulfonyl chloride;hydrochloride.

Molecular Properties

Compound Name2-phenyl-3H-benzimidazole-5-sulfonyl chloride;hydrochloride
PubChem CID50988466
Molecular FormulaC13H10Cl2N2O2S
Molecular Weight329.21 g/mol
Exact Mass327.98
IUPAC Name2-phenyl-3H-benzimidazole-5-sulfonyl chloride;hydrochloride
SMILESCl.O=S(=O)(Cl)c1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C13H9ClN2O2S.ClH/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);1H
InChIKeyGZTFFKPDBUXAKB-UHFFFAOYSA-N
XLogP3.58
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 53.58
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;hydrochloride?
The IUPAC name of 2-phenyl-3H-benzimidazole-5-sulfonyl chloride;hydrochloride (CID 50988466) is 2-phenyl-3H-benzimidazole-5-sulfonyl chloride;hydrochloride.
What is the SMILES notation for 2-phenyl-3H-benzimidazole-5-sulfonyl chloride;hydrochloride?
The canonical SMILES for 2-phenyl-3H-benzimidazole-5-sulfonyl chloride;hydrochloride is Cl.O=S(=O)(Cl)c1ccc2nc(-c3ccccc3)[nH]c2c1.
What is the InChIKey of 2-phenyl-3H-benzimidazole-5-sulfonyl chloride;hydrochloride?
The InChIKey is GZTFFKPDBUXAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O2S.ClH/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);1H.
What are the key properties of 2-phenyl-3H-benzimidazole-5-sulfonyl chloride;hydrochloride?
2-phenyl-3H-benzimidazole-5-sulfonyl chloride;hydrochloride has a molecular weight of 329.21 g/mol, XLogP of 3.58, 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;hydrochloride is sourced from PubChem (CID 50988466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).