2-(benzimidazol-1-yl)-1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]ethanone

C18H16ClN3O3S — CID 71809506

IUPAC2-(benzimidazol-1-yl)-1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]ethanone
SMILESO=C(Cn1cnc2ccccc21)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H16ClN3O3S/c19-13-5-7-14(8-6-13)26(24,25)15-9-21(10-15)18(23)11-22-12-20-16-3-1-2-4-17(16)22/h1-8,12,15H,9-11H2
InChIKeyCMJZKHLADVBWFA-UHFFFAOYSA-N
MW389.86 g/mol
LogP2.37
Rot. Bonds4

About 2-(benzimidazol-1-yl)-1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]ethanone

2-(benzimidazol-1-yl)-1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]ethanone (PubChem CID 71809506) has the molecular formula C18H16ClN3O3S and a molecular weight of 389.86 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]ethanone
PubChem CID71809506
Molecular FormulaC18H16ClN3O3S
Molecular Weight389.86 g/mol
Exact Mass389.06
IUPAC Name2-(benzimidazol-1-yl)-1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]ethanone
SMILESO=C(Cn1cnc2ccccc21)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H16ClN3O3S/c19-13-5-7-14(8-6-13)26(24,25)15-9-21(10-15)18(23)11-22-12-20-16-3-1-2-4-17(16)22/h1-8,12,15H,9-11H2
InChIKeyCMJZKHLADVBWFA-UHFFFAOYSA-N
XLogP2.37
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzotriazol-1-yl)-1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]ethanone
CID 90587816
2-(benzimidazol-1-yl)-1-[(3S,4S)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]ethanone
CID 91779865
2-[3-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 90595027
2-(benzimidazol-1-yl)-1-[3-(4-chloropyrazol-1-yl)pyrrolidin-1-yl]ethanone
CID 139008660
2-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 90592926
2-(1,3-benzoxazol-2-ylsulfanyl)-1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]ethanone
CID 90587773
1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-2-cyclopentylsulfanylethanone
CID 71809508
1-[1-[2-(benzimidazol-1-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153996
2-(benzimidazol-1-yl)-1-(2-chloro-5-oxophenothiazin-10-yl)ethanone
CID 20569725
1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-3-(4-methylsulfonylphenyl)propan-1-one
CID 90594954
2-(benzimidazol-1-yl)-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone
CID 121164964
2-(benzimidazol-1-yl)-1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]ethanone
CID 121190056

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]ethanone?
The IUPAC name of 2-(benzimidazol-1-yl)-1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]ethanone (CID 71809506) is 2-(benzimidazol-1-yl)-1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]ethanone.
What is the SMILES notation for 2-(benzimidazol-1-yl)-1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]ethanone?
The canonical SMILES for 2-(benzimidazol-1-yl)-1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]ethanone is O=C(Cn1cnc2ccccc21)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 2-(benzimidazol-1-yl)-1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]ethanone?
The InChIKey is CMJZKHLADVBWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3S/c19-13-5-7-14(8-6-13)26(24,25)15-9-21(10-15)18(23)11-22-12-20-16-3-1-2-4-17(16)22/h1-8,12,15H,9-11H2.
What are the key properties of 2-(benzimidazol-1-yl)-1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]ethanone?
2-(benzimidazol-1-yl)-1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]ethanone has a molecular weight of 389.86 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]ethanone is sourced from PubChem (CID 71809506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).