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

C16H13ClF2O3S — CID 24875617

IUPAC4-(4-chlorophenyl)sulfonyl-5,8-difluoro-4-methyl-2,3-dihydrochromene
SMILESCC1(S(=O)(=O)c2ccc(Cl)cc2)CCOc2c(F)ccc(F)c21
InChIInChI=1S/C16H13ClF2O3S/c1-16(23(20,21)11-4-2-10(17)3-5-11)8-9-22-15-13(19)7-6-12(18)14(15)16/h2-7H,8-9H2,1H3
InChIKeyUDAOAODUTRFIQO-UHFFFAOYSA-N
MW358.79 g/mol
LogP4.09
Rot. Bonds2

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

4-(4-chlorophenyl)sulfonyl-5,8-difluoro-4-methyl-2,3-dihydrochromene (PubChem CID 24875617) has the molecular formula C16H13ClF2O3S and a molecular weight of 358.79 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-5,8-difluoro-4-methyl-2,3-dihydrochromene.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-5,8-difluoro-4-methyl-2,3-dihydrochromene
PubChem CID24875617
Molecular FormulaC16H13ClF2O3S
Molecular Weight358.79 g/mol
Exact Mass358.02
IUPAC Name4-(4-chlorophenyl)sulfonyl-5,8-difluoro-4-methyl-2,3-dihydrochromene
SMILESCC1(S(=O)(=O)c2ccc(Cl)cc2)CCOc2c(F)ccc(F)c21
InChIInChI=1S/C16H13ClF2O3S/c1-16(23(20,21)11-4-2-10(17)3-5-11)8-9-22-15-13(19)7-6-12(18)14(15)16/h2-7H,8-9H2,1H3
InChIKeyUDAOAODUTRFIQO-UHFFFAOYSA-N
XLogP4.09
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 54.09
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-5,8-difluoro-4-methyl-2,3-dihydrochromene?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-5,8-difluoro-4-methyl-2,3-dihydrochromene (CID 24875617) is 4-(4-chlorophenyl)sulfonyl-5,8-difluoro-4-methyl-2,3-dihydrochromene.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-5,8-difluoro-4-methyl-2,3-dihydrochromene?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-5,8-difluoro-4-methyl-2,3-dihydrochromene is CC1(S(=O)(=O)c2ccc(Cl)cc2)CCOc2c(F)ccc(F)c21.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-5,8-difluoro-4-methyl-2,3-dihydrochromene?
The InChIKey is UDAOAODUTRFIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2O3S/c1-16(23(20,21)11-4-2-10(17)3-5-11)8-9-22-15-13(19)7-6-12(18)14(15)16/h2-7H,8-9H2,1H3.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-5,8-difluoro-4-methyl-2,3-dihydrochromene?
4-(4-chlorophenyl)sulfonyl-5,8-difluoro-4-methyl-2,3-dihydrochromene has a molecular weight of 358.79 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-5,8-difluoro-4-methyl-2,3-dihydrochromene is sourced from PubChem (CID 24875617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).