[1-(4-chlorophenyl)sulfanyl-2-methylindolizin-3-yl]-(4-fluorophenyl)methanone

C22H15ClFNOS — CID 2309522

IUPAC[1-(4-chlorophenyl)sulfanyl-2-methylindolizin-3-yl]-(4-fluorophenyl)methanone
SMILESCc1c(Sc2ccc(Cl)cc2)c2ccccn2c1C(=O)c1ccc(F)cc1
InChIInChI=1S/C22H15ClFNOS/c1-14-20(21(26)15-5-9-17(24)10-6-15)25-13-3-2-4-19(25)22(14)27-18-11-7-16(23)8-12-18/h2-13H,1H3
InChIKeyARMVJNPEPLZKCF-UHFFFAOYSA-N
MW395.89 g/mol
LogP6.42
Rot. Bonds4

About [1-(4-chlorophenyl)sulfanyl-2-methylindolizin-3-yl]-(4-fluorophenyl)methanone

[1-(4-chlorophenyl)sulfanyl-2-methylindolizin-3-yl]-(4-fluorophenyl)methanone (PubChem CID 2309522) has the molecular formula C22H15ClFNOS and a molecular weight of 395.89 g/mol. Its IUPAC name is [1-(4-chlorophenyl)sulfanyl-2-methylindolizin-3-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)sulfanyl-2-methylindolizin-3-yl]-(4-fluorophenyl)methanone
PubChem CID2309522
Molecular FormulaC22H15ClFNOS
Molecular Weight395.89 g/mol
Exact Mass395.05
IUPAC Name[1-(4-chlorophenyl)sulfanyl-2-methylindolizin-3-yl]-(4-fluorophenyl)methanone
SMILESCc1c(Sc2ccc(Cl)cc2)c2ccccn2c1C(=O)c1ccc(F)cc1
InChIInChI=1S/C22H15ClFNOS/c1-14-20(21(26)15-5-9-17(24)10-6-15)25-13-3-2-4-19(25)22(14)27-18-11-7-16(23)8-12-18/h2-13H,1H3
InChIKeyARMVJNPEPLZKCF-UHFFFAOYSA-N
XLogP6.42
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.89
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)sulfanyl-2-methylindolizin-3-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [1-(4-chlorophenyl)sulfanyl-2-methylindolizin-3-yl]-(4-fluorophenyl)methanone (CID 2309522) is [1-(4-chlorophenyl)sulfanyl-2-methylindolizin-3-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [1-(4-chlorophenyl)sulfanyl-2-methylindolizin-3-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [1-(4-chlorophenyl)sulfanyl-2-methylindolizin-3-yl]-(4-fluorophenyl)methanone is Cc1c(Sc2ccc(Cl)cc2)c2ccccn2c1C(=O)c1ccc(F)cc1.
What is the InChIKey of [1-(4-chlorophenyl)sulfanyl-2-methylindolizin-3-yl]-(4-fluorophenyl)methanone?
The InChIKey is ARMVJNPEPLZKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFNOS/c1-14-20(21(26)15-5-9-17(24)10-6-15)25-13-3-2-4-19(25)22(14)27-18-11-7-16(23)8-12-18/h2-13H,1H3.
What are the key properties of [1-(4-chlorophenyl)sulfanyl-2-methylindolizin-3-yl]-(4-fluorophenyl)methanone?
[1-(4-chlorophenyl)sulfanyl-2-methylindolizin-3-yl]-(4-fluorophenyl)methanone has a molecular weight of 395.89 g/mol, XLogP of 6.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)sulfanyl-2-methylindolizin-3-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 2309522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).