6-chloro-3-(4-chlorophenyl)sulfonylchromen-2-one

C15H8Cl2O4S — CID 2134723

IUPAC6-chloro-3-(4-chlorophenyl)sulfonylchromen-2-one
SMILESO=c1oc2ccc(Cl)cc2cc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H8Cl2O4S/c16-10-1-4-12(5-2-10)22(19,20)14-8-9-7-11(17)3-6-13(9)21-15(14)18/h1-8H
InChIKeyUZWMLEOSPVPRJT-UHFFFAOYSA-N
MW355.20 g/mol
LogP3.93
Rot. Bonds2

About 6-chloro-3-(4-chlorophenyl)sulfonylchromen-2-one

6-chloro-3-(4-chlorophenyl)sulfonylchromen-2-one (PubChem CID 2134723) has the molecular formula C15H8Cl2O4S and a molecular weight of 355.20 g/mol. Its IUPAC name is 6-chloro-3-(4-chlorophenyl)sulfonylchromen-2-one.

Molecular Properties

Compound Name6-chloro-3-(4-chlorophenyl)sulfonylchromen-2-one
PubChem CID2134723
Molecular FormulaC15H8Cl2O4S
Molecular Weight355.20 g/mol
Exact Mass353.95
IUPAC Name6-chloro-3-(4-chlorophenyl)sulfonylchromen-2-one
SMILESO=c1oc2ccc(Cl)cc2cc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H8Cl2O4S/c16-10-1-4-12(5-2-10)22(19,20)14-8-9-7-11(17)3-6-13(9)21-15(14)18/h1-8H
InChIKeyUZWMLEOSPVPRJT-UHFFFAOYSA-N
XLogP3.93
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.20
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(4-chlorophenyl)sulfonylchromen-2-one?
The IUPAC name of 6-chloro-3-(4-chlorophenyl)sulfonylchromen-2-one (CID 2134723) is 6-chloro-3-(4-chlorophenyl)sulfonylchromen-2-one.
What is the SMILES notation for 6-chloro-3-(4-chlorophenyl)sulfonylchromen-2-one?
The canonical SMILES for 6-chloro-3-(4-chlorophenyl)sulfonylchromen-2-one is O=c1oc2ccc(Cl)cc2cc1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 6-chloro-3-(4-chlorophenyl)sulfonylchromen-2-one?
The InChIKey is UZWMLEOSPVPRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2O4S/c16-10-1-4-12(5-2-10)22(19,20)14-8-9-7-11(17)3-6-13(9)21-15(14)18/h1-8H.
What are the key properties of 6-chloro-3-(4-chlorophenyl)sulfonylchromen-2-one?
6-chloro-3-(4-chlorophenyl)sulfonylchromen-2-one has a molecular weight of 355.20 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(4-chlorophenyl)sulfonylchromen-2-one is sourced from PubChem (CID 2134723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).