5-(benzenesulfonyl)spiro[benzimidazole-2,1'-cyclohexane]

C18H18N2O2S — CID 13381881

IUPAC5-(benzenesulfonyl)spiro[benzimidazole-2,1'-cyclohexane]
SMILESO=S(=O)(c1ccccc1)c1ccc2c(c1)=NC1(CCCCC1)N=2
InChIInChI=1S/C18H18N2O2S/c21-23(22,14-7-3-1-4-8-14)15-9-10-16-17(13-15)20-18(19-16)11-5-2-6-12-18/h1,3-4,7-10,13H,2,5-6,11-12H2
InChIKeyAJAOGGYRWJXUQI-UHFFFAOYSA-N
MW326.42 g/mol
LogP2.43
Rot. Bonds2

About 5-(benzenesulfonyl)spiro[benzimidazole-2,1'-cyclohexane]

5-(benzenesulfonyl)spiro[benzimidazole-2,1'-cyclohexane] (PubChem CID 13381881) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 5-(benzenesulfonyl)spiro[benzimidazole-2,1'-cyclohexane].

Molecular Properties

Compound Name5-(benzenesulfonyl)spiro[benzimidazole-2,1'-cyclohexane]
PubChem CID13381881
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name5-(benzenesulfonyl)spiro[benzimidazole-2,1'-cyclohexane]
SMILESO=S(=O)(c1ccccc1)c1ccc2c(c1)=NC1(CCCCC1)N=2
InChIInChI=1S/C18H18N2O2S/c21-23(22,14-7-3-1-4-8-14)15-9-10-16-17(13-15)20-18(19-16)11-5-2-6-12-18/h1,3-4,7-10,13H,2,5-6,11-12H2
InChIKeyAJAOGGYRWJXUQI-UHFFFAOYSA-N
XLogP2.43
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Benzenesulfonylmethylidene)benzimidazole
CID 22761621
1-(Benzenesulfonyl)-6-diazocyclohexa-1,3-diene
CID 88641043
(4E)-2-(benzenesulfonyl)-5-cyclohexa-1,5-dien-1-yl-N-methylhepta-1,4-dien-3-imine
CID 123832847
5-(Benzenesulfonyl)-6-chlorospiro[benzimidazole-2,1'-cyclohexane]
CID 10451192
CID 10531066
CID 10531066
CID 10651702
CID 10651702
(2E)-5-(benzenesulfonyl)-2-[5-(benzenesulfonyl)benzimidazol-2-ylidene]benzimidazole
CID 10791866
5-Azido-4-phenylsulfanylspiro[benzimidazole-2,1'-cyclohexane]
CID 14642802
5-(benzenesulfonylmethyl)-3,4-dihydro-2H-pyrrole
CID 15518934
6-(Benzenesulfonylmethyl)-2,3,4,5-tetrahydropyridine
CID 15518938
5-Phenylsulfanylspiro[benzimidazole-2,1'-cyclohexane]
CID 15669725
(2Z)-5-(benzenesulfonyl)-2-[5-(benzenesulfonyl)benzimidazol-2-ylidene]benzimidazole
CID 21784869

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)spiro[benzimidazole-2,1'-cyclohexane]?
The IUPAC name of 5-(benzenesulfonyl)spiro[benzimidazole-2,1'-cyclohexane] (CID 13381881) is 5-(benzenesulfonyl)spiro[benzimidazole-2,1'-cyclohexane].
What is the SMILES notation for 5-(benzenesulfonyl)spiro[benzimidazole-2,1'-cyclohexane]?
The canonical SMILES for 5-(benzenesulfonyl)spiro[benzimidazole-2,1'-cyclohexane] is O=S(=O)(c1ccccc1)c1ccc2c(c1)=NC1(CCCCC1)N=2.
What is the InChIKey of 5-(benzenesulfonyl)spiro[benzimidazole-2,1'-cyclohexane]?
The InChIKey is AJAOGGYRWJXUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c21-23(22,14-7-3-1-4-8-14)15-9-10-16-17(13-15)20-18(19-16)11-5-2-6-12-18/h1,3-4,7-10,13H,2,5-6,11-12H2.
What are the key properties of 5-(benzenesulfonyl)spiro[benzimidazole-2,1'-cyclohexane]?
5-(benzenesulfonyl)spiro[benzimidazole-2,1'-cyclohexane] has a molecular weight of 326.42 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)spiro[benzimidazole-2,1'-cyclohexane] is sourced from PubChem (CID 13381881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).