1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-one

C15H11BrClFOS — CID 66144716

IUPAC1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-one
SMILESO=C(CSc1cccc(Br)c1)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H11BrClFOS/c16-10-3-1-4-12(7-10)20-9-11(19)8-13-14(17)5-2-6-15(13)18/h1-7H,8-9H2
InChIKeyHNUZHBKQSOHKTM-UHFFFAOYSA-N
MW373.67 g/mol
LogP5.15
Rot. Bonds5

About 1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-one

1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-one (PubChem CID 66144716) has the molecular formula C15H11BrClFOS and a molecular weight of 373.67 g/mol. Its IUPAC name is 1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-one
PubChem CID66144716
Molecular FormulaC15H11BrClFOS
Molecular Weight373.67 g/mol
Exact Mass371.94
IUPAC Name1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-one
SMILESO=C(CSc1cccc(Br)c1)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H11BrClFOS/c16-10-3-1-4-12(7-10)20-9-11(19)8-13-14(17)5-2-6-15(13)18/h1-7H,8-9H2
InChIKeyHNUZHBKQSOHKTM-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-6-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-one
CID 60975295
1-(2-chloro-6-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
CID 60976639
1-(3-bromophenyl)sulfanyl-3-(3,4-dichlorophenyl)propan-2-one
CID 66144514
1-(3-bromophenyl)sulfanyl-3-phenylpropan-2-one
CID 62805342
1-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one
CID 61496199
1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-amine
CID 66158625
1-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)sulfanylpropan-2-one
CID 114854003
1-(2-chloro-3-fluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one
CID 115983515
1-(2-bromo-5-fluorophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one
CID 63410030
1-(4-bromophenyl)sulfanyl-3-(2-chloro-3-fluorophenyl)propan-2-one
CID 115983513
1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-one
CID 63411519
1-(2-chloro-6-fluorophenyl)-3-(3,5-difluorophenyl)propan-2-one
CID 61496497

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-one?
The IUPAC name of 1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-one (CID 66144716) is 1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-one?
The canonical SMILES for 1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-one is O=C(CSc1cccc(Br)c1)Cc1c(F)cccc1Cl.
What is the InChIKey of 1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-one?
The InChIKey is HNUZHBKQSOHKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFOS/c16-10-3-1-4-12(7-10)20-9-11(19)8-13-14(17)5-2-6-15(13)18/h1-7H,8-9H2.
What are the key properties of 1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-one?
1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-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-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-one is sourced from PubChem (CID 66144716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).