4-(3-chlorophenyl)sulfonyl-4-ethyl-5,8-difluoro-2,3-dihydrochromene

C17H15ClF2O3S — CID 58950558

IUPAC4-(3-chlorophenyl)sulfonyl-4-ethyl-5,8-difluoro-2,3-dihydrochromene
SMILESCCC1(S(=O)(=O)c2cccc(Cl)c2)CCOc2c(F)ccc(F)c21
InChIInChI=1S/C17H15ClF2O3S/c1-2-17(24(21,22)12-5-3-4-11(18)10-12)8-9-23-16-14(20)7-6-13(19)15(16)17/h3-7,10H,2,8-9H2,1H3
InChIKeyQDJNQMFZBZXXCL-UHFFFAOYSA-N
MW372.82 g/mol
LogP4.48
Rot. Bonds3

About 4-(3-chlorophenyl)sulfonyl-4-ethyl-5,8-difluoro-2,3-dihydrochromene

4-(3-chlorophenyl)sulfonyl-4-ethyl-5,8-difluoro-2,3-dihydrochromene (PubChem CID 58950558) has the molecular formula C17H15ClF2O3S and a molecular weight of 372.82 g/mol. Its IUPAC name is 4-(3-chlorophenyl)sulfonyl-4-ethyl-5,8-difluoro-2,3-dihydrochromene.

Molecular Properties

Compound Name4-(3-chlorophenyl)sulfonyl-4-ethyl-5,8-difluoro-2,3-dihydrochromene
PubChem CID58950558
Molecular FormulaC17H15ClF2O3S
Molecular Weight372.82 g/mol
Exact Mass372.04
IUPAC Name4-(3-chlorophenyl)sulfonyl-4-ethyl-5,8-difluoro-2,3-dihydrochromene
SMILESCCC1(S(=O)(=O)c2cccc(Cl)c2)CCOc2c(F)ccc(F)c21
InChIInChI=1S/C17H15ClF2O3S/c1-2-17(24(21,22)12-5-3-4-11(18)10-12)8-9-23-16-14(20)7-6-13(19)15(16)17/h3-7,10H,2,8-9H2,1H3
InChIKeyQDJNQMFZBZXXCL-UHFFFAOYSA-N
XLogP4.48
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.82
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)sulfonyl-4-ethyl-5,8-difluoro-2,3-dihydrochromene?
The IUPAC name of 4-(3-chlorophenyl)sulfonyl-4-ethyl-5,8-difluoro-2,3-dihydrochromene (CID 58950558) is 4-(3-chlorophenyl)sulfonyl-4-ethyl-5,8-difluoro-2,3-dihydrochromene.
What is the SMILES notation for 4-(3-chlorophenyl)sulfonyl-4-ethyl-5,8-difluoro-2,3-dihydrochromene?
The canonical SMILES for 4-(3-chlorophenyl)sulfonyl-4-ethyl-5,8-difluoro-2,3-dihydrochromene is CCC1(S(=O)(=O)c2cccc(Cl)c2)CCOc2c(F)ccc(F)c21.
What is the InChIKey of 4-(3-chlorophenyl)sulfonyl-4-ethyl-5,8-difluoro-2,3-dihydrochromene?
The InChIKey is QDJNQMFZBZXXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF2O3S/c1-2-17(24(21,22)12-5-3-4-11(18)10-12)8-9-23-16-14(20)7-6-13(19)15(16)17/h3-7,10H,2,8-9H2,1H3.
What are the key properties of 4-(3-chlorophenyl)sulfonyl-4-ethyl-5,8-difluoro-2,3-dihydrochromene?
4-(3-chlorophenyl)sulfonyl-4-ethyl-5,8-difluoro-2,3-dihydrochromene has a molecular weight of 372.82 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)sulfonyl-4-ethyl-5,8-difluoro-2,3-dihydrochromene is sourced from PubChem (CID 58950558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).