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

C17H16ClFO3S — CID 24876256

IUPAC4-(4-chlorophenyl)sulfonyl-4-ethyl-5-fluoro-2,3-dihydrochromene
SMILESCCC1(S(=O)(=O)c2ccc(Cl)cc2)CCOc2cccc(F)c21
InChIInChI=1S/C17H16ClFO3S/c1-2-17(23(20,21)13-8-6-12(18)7-9-13)10-11-22-15-5-3-4-14(19)16(15)17/h3-9H,2,10-11H2,1H3
InChIKeyJMMOZPAKTYWZTK-UHFFFAOYSA-N
MW354.83 g/mol
LogP4.34
Rot. Bonds3

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

4-(4-chlorophenyl)sulfonyl-4-ethyl-5-fluoro-2,3-dihydrochromene (PubChem CID 24876256) has the molecular formula C17H16ClFO3S and a molecular weight of 354.83 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-4-ethyl-5-fluoro-2,3-dihydrochromene.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-4-ethyl-5-fluoro-2,3-dihydrochromene
PubChem CID24876256
Molecular FormulaC17H16ClFO3S
Molecular Weight354.83 g/mol
Exact Mass354.05
IUPAC Name4-(4-chlorophenyl)sulfonyl-4-ethyl-5-fluoro-2,3-dihydrochromene
SMILESCCC1(S(=O)(=O)c2ccc(Cl)cc2)CCOc2cccc(F)c21
InChIInChI=1S/C17H16ClFO3S/c1-2-17(23(20,21)13-8-6-12(18)7-9-13)10-11-22-15-5-3-4-14(19)16(15)17/h3-9H,2,10-11H2,1H3
InChIKeyJMMOZPAKTYWZTK-UHFFFAOYSA-N
XLogP4.34
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.83
LogP ≤ 54.34
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-4-ethyl-5-fluoro-2,3-dihydrochromene?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-4-ethyl-5-fluoro-2,3-dihydrochromene (CID 24876256) is 4-(4-chlorophenyl)sulfonyl-4-ethyl-5-fluoro-2,3-dihydrochromene.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-4-ethyl-5-fluoro-2,3-dihydrochromene?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-4-ethyl-5-fluoro-2,3-dihydrochromene is CCC1(S(=O)(=O)c2ccc(Cl)cc2)CCOc2cccc(F)c21.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-4-ethyl-5-fluoro-2,3-dihydrochromene?
The InChIKey is JMMOZPAKTYWZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFO3S/c1-2-17(23(20,21)13-8-6-12(18)7-9-13)10-11-22-15-5-3-4-14(19)16(15)17/h3-9H,2,10-11H2,1H3.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-4-ethyl-5-fluoro-2,3-dihydrochromene?
4-(4-chlorophenyl)sulfonyl-4-ethyl-5-fluoro-2,3-dihydrochromene has a molecular weight of 354.83 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-4-ethyl-5-fluoro-2,3-dihydrochromene is sourced from PubChem (CID 24876256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).