5-(benzenesulfonyl)-6-chlorospiro[benzimidazole-2,1'-cyclohexane]

C18H17ClN2O2S — CID 10451192

IUPAC5-(benzenesulfonyl)-6-chlorospiro[benzimidazole-2,1'-cyclohexane]
SMILESO=S(=O)(c1ccccc1)c1cc2c(cc1Cl)=NC1(CCCCC1)N=2
InChIInChI=1S/C18H17ClN2O2S/c19-14-11-15-16(21-18(20-15)9-5-2-6-10-18)12-17(14)24(22,23)13-7-3-1-4-8-13/h1,3-4,7-8,11-12H,2,5-6,9-10H2
InChIKeyWSQISGGWHXUNJB-UHFFFAOYSA-N
MW360.87 g/mol
LogP3.09
Rot. Bonds2

About 5-(benzenesulfonyl)-6-chlorospiro[benzimidazole-2,1'-cyclohexane]

5-(benzenesulfonyl)-6-chlorospiro[benzimidazole-2,1'-cyclohexane] (PubChem CID 10451192) has the molecular formula C18H17ClN2O2S and a molecular weight of 360.87 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-6-chlorospiro[benzimidazole-2,1'-cyclohexane].

Molecular Properties

Compound Name5-(benzenesulfonyl)-6-chlorospiro[benzimidazole-2,1'-cyclohexane]
PubChem CID10451192
Molecular FormulaC18H17ClN2O2S
Molecular Weight360.87 g/mol
Exact Mass360.07
IUPAC Name5-(benzenesulfonyl)-6-chlorospiro[benzimidazole-2,1'-cyclohexane]
SMILESO=S(=O)(c1ccccc1)c1cc2c(cc1Cl)=NC1(CCCCC1)N=2
InChIInChI=1S/C18H17ClN2O2S/c19-14-11-15-16(21-18(20-15)9-5-2-6-10-18)12-17(14)24(22,23)13-7-3-1-4-8-13/h1,3-4,7-8,11-12H,2,5-6,9-10H2
InChIKeyWSQISGGWHXUNJB-UHFFFAOYSA-N
XLogP3.09
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-6-chlorospiro[benzimidazole-2,1'-cyclohexane]?
The IUPAC name of 5-(benzenesulfonyl)-6-chlorospiro[benzimidazole-2,1'-cyclohexane] (CID 10451192) is 5-(benzenesulfonyl)-6-chlorospiro[benzimidazole-2,1'-cyclohexane].
What is the SMILES notation for 5-(benzenesulfonyl)-6-chlorospiro[benzimidazole-2,1'-cyclohexane]?
The canonical SMILES for 5-(benzenesulfonyl)-6-chlorospiro[benzimidazole-2,1'-cyclohexane] is O=S(=O)(c1ccccc1)c1cc2c(cc1Cl)=NC1(CCCCC1)N=2.
What is the InChIKey of 5-(benzenesulfonyl)-6-chlorospiro[benzimidazole-2,1'-cyclohexane]?
The InChIKey is WSQISGGWHXUNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2S/c19-14-11-15-16(21-18(20-15)9-5-2-6-10-18)12-17(14)24(22,23)13-7-3-1-4-8-13/h1,3-4,7-8,11-12H,2,5-6,9-10H2.
What are the key properties of 5-(benzenesulfonyl)-6-chlorospiro[benzimidazole-2,1'-cyclohexane]?
5-(benzenesulfonyl)-6-chlorospiro[benzimidazole-2,1'-cyclohexane] has a molecular weight of 360.87 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-6-chlorospiro[benzimidazole-2,1'-cyclohexane] is sourced from PubChem (CID 10451192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).