4-(2,5-dichlorophenyl)sulfanyl-6-fluorochromen-2-one

C15H7Cl2FO2S — CID 3013135

IUPAC4-(2,5-dichlorophenyl)sulfanyl-6-fluorochromen-2-one
SMILESO=c1cc(Sc2cc(Cl)ccc2Cl)c2cc(F)ccc2o1
InChIInChI=1S/C15H7Cl2FO2S/c16-8-1-3-11(17)14(5-8)21-13-7-15(19)20-12-4-2-9(18)6-10(12)13/h1-7H
InChIKeyDSQZOMUKXCPTQJ-UHFFFAOYSA-N
MW341.19 g/mol
LogP5.39
Rot. Bonds2

About 4-(2,5-dichlorophenyl)sulfanyl-6-fluorochromen-2-one

4-(2,5-dichlorophenyl)sulfanyl-6-fluorochromen-2-one (PubChem CID 3013135) has the molecular formula C15H7Cl2FO2S and a molecular weight of 341.19 g/mol. Its IUPAC name is 4-(2,5-dichlorophenyl)sulfanyl-6-fluorochromen-2-one.

Molecular Properties

Compound Name4-(2,5-dichlorophenyl)sulfanyl-6-fluorochromen-2-one
PubChem CID3013135
Molecular FormulaC15H7Cl2FO2S
Molecular Weight341.19 g/mol
Exact Mass339.95
IUPAC Name4-(2,5-dichlorophenyl)sulfanyl-6-fluorochromen-2-one
SMILESO=c1cc(Sc2cc(Cl)ccc2Cl)c2cc(F)ccc2o1
InChIInChI=1S/C15H7Cl2FO2S/c16-8-1-3-11(17)14(5-8)21-13-7-15(19)20-12-4-2-9(18)6-10(12)13/h1-7H
InChIKeyDSQZOMUKXCPTQJ-UHFFFAOYSA-N
XLogP5.39
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.19
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

3-[(4-chlorophenyl)sulfanyl]-4-hydroxy-2H-chromen-2-one
CID 54694327
4-(4-Chlorophenyl)sulfanylchromen-2-one
CID 2825279
6-chloro-3-(3-fluorobenzenesulfonyl)-2H-chromen-2-one
CID 22425057
S-(3-chlorophenyl) 6-(chloromethyl)-2-oxochromene-3-carbothioate
CID 44405916
4-(2,4-Difluorophenyl)sulfanyl-6-fluoro-chromen-2-one
CID 3013126
4-(2-Chloro-4-fluoro-phenyl)sulfanyl-3-(3,4-dimethylphenyl)sulfanyl-chromen-2-one
CID 3013129
4-(2-Chloro-4-fluoro-phenyl)sulfanyl-3-(3,5-dimethylphenyl)sulfanyl-chromen-2-one
CID 3013130
4-(2-Chloro-4-fluoro-phenyl)sulfanyl-6-fluoro-chromen-2-one
CID 3013133
6-Fluoro-4-(2-fluorophenyl)sulfanyl-chromen-2-one
CID 3013134
3-(3-chloro-4-fluorobenzenesulfonyl)-6-methyl-2H-chromen-2-one
CID 22425084
4-(2,6-Dichlorophenyl)sulfanyl-6-fluoro-chromen-2-one
CID 3013125
4-(2-Chlorophenyl)sulfanyl-6-fluoro-chromen-2-one
CID 3013136

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorophenyl)sulfanyl-6-fluorochromen-2-one?
The IUPAC name of 4-(2,5-dichlorophenyl)sulfanyl-6-fluorochromen-2-one (CID 3013135) is 4-(2,5-dichlorophenyl)sulfanyl-6-fluorochromen-2-one.
What is the SMILES notation for 4-(2,5-dichlorophenyl)sulfanyl-6-fluorochromen-2-one?
The canonical SMILES for 4-(2,5-dichlorophenyl)sulfanyl-6-fluorochromen-2-one is O=c1cc(Sc2cc(Cl)ccc2Cl)c2cc(F)ccc2o1.
What is the InChIKey of 4-(2,5-dichlorophenyl)sulfanyl-6-fluorochromen-2-one?
The InChIKey is DSQZOMUKXCPTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl2FO2S/c16-8-1-3-11(17)14(5-8)21-13-7-15(19)20-12-4-2-9(18)6-10(12)13/h1-7H.
What are the key properties of 4-(2,5-dichlorophenyl)sulfanyl-6-fluorochromen-2-one?
4-(2,5-dichlorophenyl)sulfanyl-6-fluorochromen-2-one has a molecular weight of 341.19 g/mol, XLogP of 5.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorophenyl)sulfanyl-6-fluorochromen-2-one is sourced from PubChem (CID 3013135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).