4-(4-chlorophenyl)sulfonyl-5,8-difluoro-2H-chromene

C15H9ClF2O3S — CID 58252242

IUPAC4-(4-chlorophenyl)sulfonyl-5,8-difluoro-2H-chromene
SMILESO=S(=O)(C1=CCOc2c(F)ccc(F)c21)c1ccc(Cl)cc1
InChIInChI=1S/C15H9ClF2O3S/c16-9-1-3-10(4-2-9)22(19,20)13-7-8-21-15-12(18)6-5-11(17)14(13)15/h1-7H,8H2
InChIKeyZUWRGEIMQJYSRW-UHFFFAOYSA-N
MW342.75 g/mol
LogP3.83
Rot. Bonds2

About 4-(4-chlorophenyl)sulfonyl-5,8-difluoro-2H-chromene

4-(4-chlorophenyl)sulfonyl-5,8-difluoro-2H-chromene (PubChem CID 58252242) has the molecular formula C15H9ClF2O3S and a molecular weight of 342.75 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-5,8-difluoro-2H-chromene.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-5,8-difluoro-2H-chromene
PubChem CID58252242
Molecular FormulaC15H9ClF2O3S
Molecular Weight342.75 g/mol
Exact Mass341.99
IUPAC Name4-(4-chlorophenyl)sulfonyl-5,8-difluoro-2H-chromene
SMILESO=S(=O)(C1=CCOc2c(F)ccc(F)c21)c1ccc(Cl)cc1
InChIInChI=1S/C15H9ClF2O3S/c16-9-1-3-10(4-2-9)22(19,20)13-7-8-21-15-12(18)6-5-11(17)14(13)15/h1-7H,8H2
InChIKeyZUWRGEIMQJYSRW-UHFFFAOYSA-N
XLogP3.83
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.75
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-5,8-difluoro-2H-chromene?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-5,8-difluoro-2H-chromene (CID 58252242) is 4-(4-chlorophenyl)sulfonyl-5,8-difluoro-2H-chromene.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-5,8-difluoro-2H-chromene?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-5,8-difluoro-2H-chromene is O=S(=O)(C1=CCOc2c(F)ccc(F)c21)c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-5,8-difluoro-2H-chromene?
The InChIKey is ZUWRGEIMQJYSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF2O3S/c16-9-1-3-10(4-2-9)22(19,20)13-7-8-21-15-12(18)6-5-11(17)14(13)15/h1-7H,8H2.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-5,8-difluoro-2H-chromene?
4-(4-chlorophenyl)sulfonyl-5,8-difluoro-2H-chromene has a molecular weight of 342.75 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-5,8-difluoro-2H-chromene is sourced from PubChem (CID 58252242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).