1-(4-chloro-3-fluorophenyl)-3-(3-chlorophenyl)sulfanylpropan-2-one

C15H11Cl2FOS — CID 107884020

IUPAC1-(4-chloro-3-fluorophenyl)-3-(3-chlorophenyl)sulfanylpropan-2-one
SMILESO=C(CSc1cccc(Cl)c1)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C15H11Cl2FOS/c16-11-2-1-3-13(8-11)20-9-12(19)6-10-4-5-14(17)15(18)7-10/h1-5,7-8H,6,9H2
InChIKeyBSCMOHIXZSPGNF-UHFFFAOYSA-N
MW329.22 g/mol
LogP5.04
Rot. Bonds5

About 1-(4-chloro-3-fluorophenyl)-3-(3-chlorophenyl)sulfanylpropan-2-one

1-(4-chloro-3-fluorophenyl)-3-(3-chlorophenyl)sulfanylpropan-2-one (PubChem CID 107884020) has the molecular formula C15H11Cl2FOS and a molecular weight of 329.22 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-3-(3-chlorophenyl)sulfanylpropan-2-one.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-3-(3-chlorophenyl)sulfanylpropan-2-one
PubChem CID107884020
Molecular FormulaC15H11Cl2FOS
Molecular Weight329.22 g/mol
Exact Mass327.99
IUPAC Name1-(4-chloro-3-fluorophenyl)-3-(3-chlorophenyl)sulfanylpropan-2-one
SMILESO=C(CSc1cccc(Cl)c1)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C15H11Cl2FOS/c16-11-2-1-3-13(8-11)20-9-12(19)6-10-4-5-14(17)15(18)7-10/h1-5,7-8H,6,9H2
InChIKeyBSCMOHIXZSPGNF-UHFFFAOYSA-N
XLogP5.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.22
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-(3-chlorophenyl)sulfanylpropan-2-one?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-(3-chlorophenyl)sulfanylpropan-2-one (CID 107884020) is 1-(4-chloro-3-fluorophenyl)-3-(3-chlorophenyl)sulfanylpropan-2-one.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-3-(3-chlorophenyl)sulfanylpropan-2-one?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-3-(3-chlorophenyl)sulfanylpropan-2-one is O=C(CSc1cccc(Cl)c1)Cc1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-3-(3-chlorophenyl)sulfanylpropan-2-one?
The InChIKey is BSCMOHIXZSPGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FOS/c16-11-2-1-3-13(8-11)20-9-12(19)6-10-4-5-14(17)15(18)7-10/h1-5,7-8H,6,9H2.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-3-(3-chlorophenyl)sulfanylpropan-2-one?
1-(4-chloro-3-fluorophenyl)-3-(3-chlorophenyl)sulfanylpropan-2-one has a molecular weight of 329.22 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-3-(3-chlorophenyl)sulfanylpropan-2-one is sourced from PubChem (CID 107884020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).