1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylethanone

C14H9Cl2FOS — CID 43411730

IUPAC1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylethanone
SMILESO=C(CSc1ccc(F)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl2FOS/c15-9-1-6-12(13(16)7-9)14(18)8-19-11-4-2-10(17)3-5-11/h1-7H,8H2
InChIKeyWZUXHPHDSJPXDT-UHFFFAOYSA-N
MW315.20 g/mol
LogP5.11
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylethanone

1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylethanone (PubChem CID 43411730) has the molecular formula C14H9Cl2FOS and a molecular weight of 315.20 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylethanone
PubChem CID43411730
Molecular FormulaC14H9Cl2FOS
Molecular Weight315.20 g/mol
Exact Mass313.97
IUPAC Name1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylethanone
SMILESO=C(CSc1ccc(F)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl2FOS/c15-9-1-6-12(13(16)7-9)14(18)8-19-11-4-2-10(17)3-5-11/h1-7H,8H2
InChIKeyWZUXHPHDSJPXDT-UHFFFAOYSA-N
XLogP5.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.20
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-5-methylphenyl)-2-(4-fluorophenyl)sulfanylethanone
CID 66070340
1-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylethanone
CID 10802537
N-[4-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]cyclohexanecarboxamide
CID 22777720
N-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 19299392
1-(2,5-dichlorophenyl)-2-(4-methoxyphenyl)sulfanylethanone
CID 43218829
1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 115736507
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-(2,4-dichlorophenyl)ethanone
CID 23854033
1-(2,4-dichlorophenyl)-2-(2-methylfuran-3-yl)sulfanylethanone
CID 107781186
N-[(Z)-3-[4-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylanilino]-1-(2-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 22783470
2,4-dichloro-N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]benzamide
CID 23098450
4-amino-2-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 135486516
1-(2-chloro-4-fluorophenyl)-2-(2,5-difluorophenyl)ethanone
CID 62945008

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylethanone?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylethanone (CID 43411730) is 1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylethanone.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylethanone?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylethanone is O=C(CSc1ccc(F)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylethanone?
The InChIKey is WZUXHPHDSJPXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FOS/c15-9-1-6-12(13(16)7-9)14(18)8-19-11-4-2-10(17)3-5-11/h1-7H,8H2.
What are the key properties of 1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylethanone?
1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylethanone has a molecular weight of 315.20 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylethanone is sourced from PubChem (CID 43411730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).