2-(4-bromophenyl)sulfanyl-1-(2,4-dichlorophenyl)propan-1-one

C15H11BrCl2OS — CID 43801689

IUPAC2-(4-bromophenyl)sulfanyl-1-(2,4-dichlorophenyl)propan-1-one
SMILESCC(Sc1ccc(Br)cc1)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11BrCl2OS/c1-9(20-12-5-2-10(16)3-6-12)15(19)13-7-4-11(17)8-14(13)18/h2-9H,1H3
InChIKeySTSNWKXSRVISRM-UHFFFAOYSA-N
MW390.13 g/mol
LogP6.12
Rot. Bonds4

About 2-(4-bromophenyl)sulfanyl-1-(2,4-dichlorophenyl)propan-1-one

2-(4-bromophenyl)sulfanyl-1-(2,4-dichlorophenyl)propan-1-one (PubChem CID 43801689) has the molecular formula C15H11BrCl2OS and a molecular weight of 390.13 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-1-(2,4-dichlorophenyl)propan-1-one.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-1-(2,4-dichlorophenyl)propan-1-one
PubChem CID43801689
Molecular FormulaC15H11BrCl2OS
Molecular Weight390.13 g/mol
Exact Mass387.91
IUPAC Name2-(4-bromophenyl)sulfanyl-1-(2,4-dichlorophenyl)propan-1-one
SMILESCC(Sc1ccc(Br)cc1)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11BrCl2OS/c1-9(20-12-5-2-10(16)3-6-12)15(19)13-7-4-11(17)8-14(13)18/h2-9H,1H3
InChIKeySTSNWKXSRVISRM-UHFFFAOYSA-N
XLogP6.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.13
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dichlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropan-1-one
CID 62306346
3-(2,4-dichlorophenyl)-2-methyl-3-oxopropanoic acid
CID 116918261
(2S)-2-(4-bromophenyl)sulfanyl-N-(4-chlorophenyl)propanamide
CID 7785397
2-(2,4-dibromophenoxy)-1-(2,4-dichlorophenyl)propan-1-one
CID 63567272
1-(2,4-dichlorophenyl)-2-hydroxy-3-methylbutan-1-one
CID 130517010
2-(5-bromo-2-methylphenoxy)-1-(2,4-dichlorophenyl)propan-1-one
CID 107285078
2,3-dibromo-1-(2,4-dichlorophenyl)propan-1-one
CID 130136731
N-[4-(1-anilino-1-oxopropan-2-yl)sulfanylphenyl]-2,4-dichlorobenzamide
CID 22781798
2-(4-chlorophenyl)sulfanyl-N-(2,4-dichlorophenyl)propanamide
CID 2865382
2,4-dichloro-N-[4-[1-(4-iodoanilino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide
CID 21170590
ethyl 2-[1-(2,4-dichlorophenyl)-1-oxopropan-2-yl]sulfanylacetate
CID 43801775
2-(4-bromophenyl)sulfanyl-N-(2,5-difluorophenyl)propanamide
CID 46619918

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-1-(2,4-dichlorophenyl)propan-1-one?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-1-(2,4-dichlorophenyl)propan-1-one (CID 43801689) is 2-(4-bromophenyl)sulfanyl-1-(2,4-dichlorophenyl)propan-1-one.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-1-(2,4-dichlorophenyl)propan-1-one?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-1-(2,4-dichlorophenyl)propan-1-one is CC(Sc1ccc(Br)cc1)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-1-(2,4-dichlorophenyl)propan-1-one?
The InChIKey is STSNWKXSRVISRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrCl2OS/c1-9(20-12-5-2-10(16)3-6-12)15(19)13-7-4-11(17)8-14(13)18/h2-9H,1H3.
What are the key properties of 2-(4-bromophenyl)sulfanyl-1-(2,4-dichlorophenyl)propan-1-one?
2-(4-bromophenyl)sulfanyl-1-(2,4-dichlorophenyl)propan-1-one has a molecular weight of 390.13 g/mol, XLogP of 6.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-1-(2,4-dichlorophenyl)propan-1-one is sourced from PubChem (CID 43801689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).