6-chloro-3-(3,5-difluorophenyl)sulfonylchromen-2-one

C15H7ClF2O4S — CID 22425082

IUPAC6-chloro-3-(3,5-difluorophenyl)sulfonylchromen-2-one
SMILESO=c1oc2ccc(Cl)cc2cc1S(=O)(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C15H7ClF2O4S/c16-9-1-2-13-8(3-9)4-14(15(19)22-13)23(20,21)12-6-10(17)5-11(18)7-12/h1-7H
InChIKeyRNRIKGQSWDUMRO-UHFFFAOYSA-N
MW356.73 g/mol
LogP3.56
Rot. Bonds2

About 6-chloro-3-(3,5-difluorophenyl)sulfonylchromen-2-one

6-chloro-3-(3,5-difluorophenyl)sulfonylchromen-2-one (PubChem CID 22425082) has the molecular formula C15H7ClF2O4S and a molecular weight of 356.73 g/mol. Its IUPAC name is 6-chloro-3-(3,5-difluorophenyl)sulfonylchromen-2-one.

Molecular Properties

Compound Name6-chloro-3-(3,5-difluorophenyl)sulfonylchromen-2-one
PubChem CID22425082
Molecular FormulaC15H7ClF2O4S
Molecular Weight356.73 g/mol
Exact Mass355.97
IUPAC Name6-chloro-3-(3,5-difluorophenyl)sulfonylchromen-2-one
SMILESO=c1oc2ccc(Cl)cc2cc1S(=O)(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C15H7ClF2O4S/c16-9-1-2-13-8(3-9)4-14(15(19)22-13)23(20,21)12-6-10(17)5-11(18)7-12/h1-7H
InChIKeyRNRIKGQSWDUMRO-UHFFFAOYSA-N
XLogP3.56
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.73
LogP ≤ 53.56
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-(3,5-difluorophenyl)sulfonylchromen-2-one?
The IUPAC name of 6-chloro-3-(3,5-difluorophenyl)sulfonylchromen-2-one (CID 22425082) is 6-chloro-3-(3,5-difluorophenyl)sulfonylchromen-2-one.
What is the SMILES notation for 6-chloro-3-(3,5-difluorophenyl)sulfonylchromen-2-one?
The canonical SMILES for 6-chloro-3-(3,5-difluorophenyl)sulfonylchromen-2-one is O=c1oc2ccc(Cl)cc2cc1S(=O)(=O)c1cc(F)cc(F)c1.
What is the InChIKey of 6-chloro-3-(3,5-difluorophenyl)sulfonylchromen-2-one?
The InChIKey is RNRIKGQSWDUMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClF2O4S/c16-9-1-2-13-8(3-9)4-14(15(19)22-13)23(20,21)12-6-10(17)5-11(18)7-12/h1-7H.
What are the key properties of 6-chloro-3-(3,5-difluorophenyl)sulfonylchromen-2-one?
6-chloro-3-(3,5-difluorophenyl)sulfonylchromen-2-one has a molecular weight of 356.73 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3,5-difluorophenyl)sulfonylchromen-2-one is sourced from PubChem (CID 22425082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).