1-(4-bromophenyl)sulfanyl-3-(2-chloro-3-fluorophenyl)propan-2-one

C15H11BrClFOS — CID 115983513

IUPAC1-(4-bromophenyl)sulfanyl-3-(2-chloro-3-fluorophenyl)propan-2-one
SMILESO=C(CSc1ccc(Br)cc1)Cc1cccc(F)c1Cl
InChIInChI=1S/C15H11BrClFOS/c16-11-4-6-13(7-5-11)20-9-12(19)8-10-2-1-3-14(18)15(10)17/h1-7H,8-9H2
InChIKeyCUAYMXBYZZBVNF-UHFFFAOYSA-N
MW373.67 g/mol
LogP5.15
Rot. Bonds5

About 1-(4-bromophenyl)sulfanyl-3-(2-chloro-3-fluorophenyl)propan-2-one

1-(4-bromophenyl)sulfanyl-3-(2-chloro-3-fluorophenyl)propan-2-one (PubChem CID 115983513) has the molecular formula C15H11BrClFOS and a molecular weight of 373.67 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfanyl-3-(2-chloro-3-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfanyl-3-(2-chloro-3-fluorophenyl)propan-2-one
PubChem CID115983513
Molecular FormulaC15H11BrClFOS
Molecular Weight373.67 g/mol
Exact Mass371.94
IUPAC Name1-(4-bromophenyl)sulfanyl-3-(2-chloro-3-fluorophenyl)propan-2-one
SMILESO=C(CSc1ccc(Br)cc1)Cc1cccc(F)c1Cl
InChIInChI=1S/C15H11BrClFOS/c16-11-4-6-13(7-5-11)20-9-12(19)8-10-2-1-3-14(18)15(10)17/h1-7H,8-9H2
InChIKeyCUAYMXBYZZBVNF-UHFFFAOYSA-N
XLogP5.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.67
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)sulfanyl-3-(2,3-dichlorophenyl)propan-2-one
CID 107307922
1-(2-chloro-3-fluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one
CID 115983515
1-(3-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-one
CID 102857203
1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
CID 107307923
1-(4-bromo-2-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-one
CID 66070129
1-(2-chloro-6-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-one
CID 60975295
1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-one
CID 66144716
1-(2-chloro-3-fluorophenyl)-3-(dimethylamino)propan-2-one
CID 112653367
1-(4-bromophenyl)sulfanyl-3-(3-methylphenyl)propan-2-one
CID 66057251
1-(2-chloro-3-fluorophenyl)-5-hydroxypentan-2-one
CID 106677607
1-(2-chloro-3-fluorophenyl)-4,4-dimethylpentan-2-one
CID 112653318
1-(4-bromophenyl)sulfanyl-3-thiophen-2-ylpropan-2-one
CID 66056663

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfanyl-3-(2-chloro-3-fluorophenyl)propan-2-one?
The IUPAC name of 1-(4-bromophenyl)sulfanyl-3-(2-chloro-3-fluorophenyl)propan-2-one (CID 115983513) is 1-(4-bromophenyl)sulfanyl-3-(2-chloro-3-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-(4-bromophenyl)sulfanyl-3-(2-chloro-3-fluorophenyl)propan-2-one?
The canonical SMILES for 1-(4-bromophenyl)sulfanyl-3-(2-chloro-3-fluorophenyl)propan-2-one is O=C(CSc1ccc(Br)cc1)Cc1cccc(F)c1Cl.
What is the InChIKey of 1-(4-bromophenyl)sulfanyl-3-(2-chloro-3-fluorophenyl)propan-2-one?
The InChIKey is CUAYMXBYZZBVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFOS/c16-11-4-6-13(7-5-11)20-9-12(19)8-10-2-1-3-14(18)15(10)17/h1-7H,8-9H2.
What are the key properties of 1-(4-bromophenyl)sulfanyl-3-(2-chloro-3-fluorophenyl)propan-2-one?
1-(4-bromophenyl)sulfanyl-3-(2-chloro-3-fluorophenyl)propan-2-one has a molecular weight of 373.67 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfanyl-3-(2-chloro-3-fluorophenyl)propan-2-one is sourced from PubChem (CID 115983513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).