2-[4-(benzenesulfonyl)phenyl]sulfanyl-1H-benzimidazole

C19H14N2O2S2 — CID 23735300

IUPAC2-[4-(benzenesulfonyl)phenyl]sulfanyl-1H-benzimidazole
SMILESO=S(=O)(c1ccccc1)c1ccc(Sc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C19H14N2O2S2/c22-25(23,15-6-2-1-3-7-15)16-12-10-14(11-13-16)24-19-20-17-8-4-5-9-18(17)21-19/h1-13H,(H,20,21)
InChIKeyPAFRTXNQAJPLHX-UHFFFAOYSA-N
MW366.47 g/mol
LogP4.55
Rot. Bonds4

About 2-[4-(benzenesulfonyl)phenyl]sulfanyl-1H-benzimidazole

2-[4-(benzenesulfonyl)phenyl]sulfanyl-1H-benzimidazole (PubChem CID 23735300) has the molecular formula C19H14N2O2S2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-[4-(benzenesulfonyl)phenyl]sulfanyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-(benzenesulfonyl)phenyl]sulfanyl-1H-benzimidazole
PubChem CID23735300
Molecular FormulaC19H14N2O2S2
Molecular Weight366.47 g/mol
Exact Mass366.05
IUPAC Name2-[4-(benzenesulfonyl)phenyl]sulfanyl-1H-benzimidazole
SMILESO=S(=O)(c1ccccc1)c1ccc(Sc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C19H14N2O2S2/c22-25(23,15-6-2-1-3-7-15)16-12-10-14(11-13-16)24-19-20-17-8-4-5-9-18(17)21-19/h1-13H,(H,20,21)
InChIKeyPAFRTXNQAJPLHX-UHFFFAOYSA-N
XLogP4.55
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(1H-benzimidazol-2-ylsulfanyl)benzenesulfonamide
CID 79466724
2-(3,5-difluorophenyl)sulfanyl-1H-benzimidazole
CID 177375670
6-(1H-benzimidazol-2-ylsulfanyl)-2-methyl-1H-benzimidazole
CID 71321593
1-[4-(1H-benzimidazol-2-ylsulfanyl)phenyl]propan-2-amine
CID 63819118
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1H-benzimidazole
CID 779801
1H-benzimidazol-2-yl thiohypoiodite
CID 142014861
6-(1H-benzimidazol-2-ylsulfanyl)pyridine-2-carboxylic acid
CID 62240073
5-(1H-benzimidazol-2-ylsulfanyl)-3-methylbenzene-1,2-diol
CID 139213863
5-(1H-benzimidazol-2-ylsulfanyl)furan-2-carboxylic acid
CID 62206739
2-(1H-benzimidazol-2-ylsulfanyl)pyrimidine-5-carbaldehyde
CID 113388621
2-[(E)-2-chloroethenyl]sulfanyl-1H-benzimidazole
CID 131246595
2-[(6-chloro-2-pyridinyl)sulfanyl]-1H-benzimidazole
CID 63586553

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonyl)phenyl]sulfanyl-1H-benzimidazole?
The IUPAC name of 2-[4-(benzenesulfonyl)phenyl]sulfanyl-1H-benzimidazole (CID 23735300) is 2-[4-(benzenesulfonyl)phenyl]sulfanyl-1H-benzimidazole.
What is the SMILES notation for 2-[4-(benzenesulfonyl)phenyl]sulfanyl-1H-benzimidazole?
The canonical SMILES for 2-[4-(benzenesulfonyl)phenyl]sulfanyl-1H-benzimidazole is O=S(=O)(c1ccccc1)c1ccc(Sc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-[4-(benzenesulfonyl)phenyl]sulfanyl-1H-benzimidazole?
The InChIKey is PAFRTXNQAJPLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S2/c22-25(23,15-6-2-1-3-7-15)16-12-10-14(11-13-16)24-19-20-17-8-4-5-9-18(17)21-19/h1-13H,(H,20,21).
What are the key properties of 2-[4-(benzenesulfonyl)phenyl]sulfanyl-1H-benzimidazole?
2-[4-(benzenesulfonyl)phenyl]sulfanyl-1H-benzimidazole has a molecular weight of 366.47 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonyl)phenyl]sulfanyl-1H-benzimidazole is sourced from PubChem (CID 23735300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).