3-(4-chlorophenyl)sulfonylchromen-4-one

C15H9ClO4S — CID 154714717

IUPAC3-(4-chlorophenyl)sulfonylchromen-4-one
SMILESO=c1c(S(=O)(=O)c2ccc(Cl)cc2)coc2ccccc12
InChIInChI=1S/C15H9ClO4S/c16-10-5-7-11(8-6-10)21(18,19)14-9-20-13-4-2-1-3-12(13)15(14)17/h1-9H
InChIKeyWJXXZGPYVYCQFU-UHFFFAOYSA-N
MW320.75 g/mol
LogP3.28
Rot. Bonds2

About 3-(4-chlorophenyl)sulfonylchromen-4-one

3-(4-chlorophenyl)sulfonylchromen-4-one (PubChem CID 154714717) has the molecular formula C15H9ClO4S and a molecular weight of 320.75 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonylchromen-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonylchromen-4-one
PubChem CID154714717
Molecular FormulaC15H9ClO4S
Molecular Weight320.75 g/mol
Exact Mass319.99
IUPAC Name3-(4-chlorophenyl)sulfonylchromen-4-one
SMILESO=c1c(S(=O)(=O)c2ccc(Cl)cc2)coc2ccccc12
InChIInChI=1S/C15H9ClO4S/c16-10-5-7-11(8-6-10)21(18,19)14-9-20-13-4-2-1-3-12(13)15(14)17/h1-9H
InChIKeyWJXXZGPYVYCQFU-UHFFFAOYSA-N
XLogP3.28
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.75
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonylchromen-4-one?
The IUPAC name of 3-(4-chlorophenyl)sulfonylchromen-4-one (CID 154714717) is 3-(4-chlorophenyl)sulfonylchromen-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonylchromen-4-one?
The canonical SMILES for 3-(4-chlorophenyl)sulfonylchromen-4-one is O=c1c(S(=O)(=O)c2ccc(Cl)cc2)coc2ccccc12.
What is the InChIKey of 3-(4-chlorophenyl)sulfonylchromen-4-one?
The InChIKey is WJXXZGPYVYCQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClO4S/c16-10-5-7-11(8-6-10)21(18,19)14-9-20-13-4-2-1-3-12(13)15(14)17/h1-9H.
What are the key properties of 3-(4-chlorophenyl)sulfonylchromen-4-one?
3-(4-chlorophenyl)sulfonylchromen-4-one has a molecular weight of 320.75 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonylchromen-4-one is sourced from PubChem (CID 154714717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).