1-(2-bromophenyl)sulfanyl-3-(2-chloro-5-fluorophenyl)propan-2-one

C15H11BrClFOS — CID 102617725

IUPAC1-(2-bromophenyl)sulfanyl-3-(2-chloro-5-fluorophenyl)propan-2-one
SMILESO=C(CSc1ccccc1Br)Cc1cc(F)ccc1Cl
InChIInChI=1S/C15H11BrClFOS/c16-13-3-1-2-4-15(13)20-9-12(19)8-10-7-11(18)5-6-14(10)17/h1-7H,8-9H2
InChIKeyVGUDGBWJVVKCDA-UHFFFAOYSA-N
MW373.67 g/mol
LogP5.15
Rot. Bonds5

About 1-(2-bromophenyl)sulfanyl-3-(2-chloro-5-fluorophenyl)propan-2-one

1-(2-bromophenyl)sulfanyl-3-(2-chloro-5-fluorophenyl)propan-2-one (PubChem CID 102617725) has the molecular formula C15H11BrClFOS and a molecular weight of 373.67 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfanyl-3-(2-chloro-5-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfanyl-3-(2-chloro-5-fluorophenyl)propan-2-one
PubChem CID102617725
Molecular FormulaC15H11BrClFOS
Molecular Weight373.67 g/mol
Exact Mass371.94
IUPAC Name1-(2-bromophenyl)sulfanyl-3-(2-chloro-5-fluorophenyl)propan-2-one
SMILESO=C(CSc1ccccc1Br)Cc1cc(F)ccc1Cl
InChIInChI=1S/C15H11BrClFOS/c16-13-3-1-2-4-15(13)20-9-12(19)8-10-7-11(18)5-6-14(10)17/h1-7H,8-9H2
InChIKeyVGUDGBWJVVKCDA-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-(2-chloro-5-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one
CID 102617723
1-(2-bromo-4-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one
CID 66142357
1-(2-bromophenyl)sulfanyl-3-(3-fluorophenyl)propan-2-one
CID 66144232
1-(2-bromophenyl)sulfanyl-3-(2,6-dichlorophenyl)propan-2-one
CID 66143656
1-(2-bromo-5-fluorophenyl)-3-(2-chlorophenyl)propan-2-one
CID 62621399
1-(2-bromophenyl)sulfanyl-3-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine
CID 102619034
1-(2,5-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
CID 66095260
1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
CID 114347272
1-(2-bromo-5-methoxyphenyl)-3-(2-bromophenyl)sulfanylpropan-2-one
CID 66145597
2-(2-bromophenyl)sulfanyl-1-(2-chlorophenyl)ethanone
CID 43231190
1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
CID 107307923
1-(2-chloro-5-fluorophenyl)-3-(3-chloro-2-fluorophenyl)propan-2-one
CID 102617799

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfanyl-3-(2-chloro-5-fluorophenyl)propan-2-one?
The IUPAC name of 1-(2-bromophenyl)sulfanyl-3-(2-chloro-5-fluorophenyl)propan-2-one (CID 102617725) is 1-(2-bromophenyl)sulfanyl-3-(2-chloro-5-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-(2-bromophenyl)sulfanyl-3-(2-chloro-5-fluorophenyl)propan-2-one?
The canonical SMILES for 1-(2-bromophenyl)sulfanyl-3-(2-chloro-5-fluorophenyl)propan-2-one is O=C(CSc1ccccc1Br)Cc1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-bromophenyl)sulfanyl-3-(2-chloro-5-fluorophenyl)propan-2-one?
The InChIKey is VGUDGBWJVVKCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFOS/c16-13-3-1-2-4-15(13)20-9-12(19)8-10-7-11(18)5-6-14(10)17/h1-7H,8-9H2.
What are the key properties of 1-(2-bromophenyl)sulfanyl-3-(2-chloro-5-fluorophenyl)propan-2-one?
1-(2-bromophenyl)sulfanyl-3-(2-chloro-5-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-(2-bromophenyl)sulfanyl-3-(2-chloro-5-fluorophenyl)propan-2-one is sourced from PubChem (CID 102617725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).