2-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-6-methyl-1H-benzimidazole

C17H16FN3O2S — CID 71783829

IUPAC2-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-6-methyl-1H-benzimidazole
SMILESCc1ccc2nc(C3CN(S(=O)(=O)c4ccccc4F)C3)[nH]c2c1
InChIInChI=1S/C17H16FN3O2S/c1-11-6-7-14-15(8-11)20-17(19-14)12-9-21(10-12)24(22,23)16-5-3-2-4-13(16)18/h2-8,12H,9-10H2,1H3,(H,19,20)
InChIKeyFADVZDWDKDICBL-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.80
Rot. Bonds3

About 2-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-6-methyl-1H-benzimidazole

2-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-6-methyl-1H-benzimidazole (PubChem CID 71783829) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-6-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-6-methyl-1H-benzimidazole
PubChem CID71783829
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC Name2-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-6-methyl-1H-benzimidazole
SMILESCc1ccc2nc(C3CN(S(=O)(=O)c4ccccc4F)C3)[nH]c2c1
InChIInChI=1S/C17H16FN3O2S/c1-11-6-7-14-15(8-11)20-17(19-14)12-9-21(10-12)24(22,23)16-5-3-2-4-13(16)18/h2-8,12H,9-10H2,1H3,(H,19,20)
InChIKeyFADVZDWDKDICBL-UHFFFAOYSA-N
XLogP2.80
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-6-methyl-1H-benzimidazole?
The IUPAC name of 2-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-6-methyl-1H-benzimidazole (CID 71783829) is 2-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-6-methyl-1H-benzimidazole.
What is the SMILES notation for 2-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-6-methyl-1H-benzimidazole?
The canonical SMILES for 2-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-6-methyl-1H-benzimidazole is Cc1ccc2nc(C3CN(S(=O)(=O)c4ccccc4F)C3)[nH]c2c1.
What is the InChIKey of 2-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-6-methyl-1H-benzimidazole?
The InChIKey is FADVZDWDKDICBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c1-11-6-7-14-15(8-11)20-17(19-14)12-9-21(10-12)24(22,23)16-5-3-2-4-13(16)18/h2-8,12H,9-10H2,1H3,(H,19,20).
What are the key properties of 2-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-6-methyl-1H-benzimidazole?
2-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-6-methyl-1H-benzimidazole has a molecular weight of 345.40 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-6-methyl-1H-benzimidazole is sourced from PubChem (CID 71783829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).