4-(4-chlorophenyl)sulfonyl-6-fluoro-2,4-dimethyl-2,3-dihydrochromene

C17H16ClFO3S — CID 24875803

IUPAC4-(4-chlorophenyl)sulfonyl-6-fluoro-2,4-dimethyl-2,3-dihydrochromene
SMILESCC1CC(C)(S(=O)(=O)c2ccc(Cl)cc2)c2cc(F)ccc2O1
InChIInChI=1S/C17H16ClFO3S/c1-11-10-17(2,15-9-13(19)5-8-16(15)22-11)23(20,21)14-6-3-12(18)4-7-14/h3-9,11H,10H2,1-2H3
InChIKeyPLRVDHDBNITKMN-UHFFFAOYSA-N
MW354.83 g/mol
LogP4.34
Rot. Bonds2

About 4-(4-chlorophenyl)sulfonyl-6-fluoro-2,4-dimethyl-2,3-dihydrochromene

4-(4-chlorophenyl)sulfonyl-6-fluoro-2,4-dimethyl-2,3-dihydrochromene (PubChem CID 24875803) has the molecular formula C17H16ClFO3S and a molecular weight of 354.83 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-6-fluoro-2,4-dimethyl-2,3-dihydrochromene.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-6-fluoro-2,4-dimethyl-2,3-dihydrochromene
PubChem CID24875803
Molecular FormulaC17H16ClFO3S
Molecular Weight354.83 g/mol
Exact Mass354.05
IUPAC Name4-(4-chlorophenyl)sulfonyl-6-fluoro-2,4-dimethyl-2,3-dihydrochromene
SMILESCC1CC(C)(S(=O)(=O)c2ccc(Cl)cc2)c2cc(F)ccc2O1
InChIInChI=1S/C17H16ClFO3S/c1-11-10-17(2,15-9-13(19)5-8-16(15)22-11)23(20,21)14-6-3-12(18)4-7-14/h3-9,11H,10H2,1-2H3
InChIKeyPLRVDHDBNITKMN-UHFFFAOYSA-N
XLogP4.34
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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-6-fluoro-2,4-dimethyl-2,3-dihydrochromene?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-6-fluoro-2,4-dimethyl-2,3-dihydrochromene (CID 24875803) is 4-(4-chlorophenyl)sulfonyl-6-fluoro-2,4-dimethyl-2,3-dihydrochromene.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-6-fluoro-2,4-dimethyl-2,3-dihydrochromene?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-6-fluoro-2,4-dimethyl-2,3-dihydrochromene is CC1CC(C)(S(=O)(=O)c2ccc(Cl)cc2)c2cc(F)ccc2O1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-6-fluoro-2,4-dimethyl-2,3-dihydrochromene?
The InChIKey is PLRVDHDBNITKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFO3S/c1-11-10-17(2,15-9-13(19)5-8-16(15)22-11)23(20,21)14-6-3-12(18)4-7-14/h3-9,11H,10H2,1-2H3.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-6-fluoro-2,4-dimethyl-2,3-dihydrochromene?
4-(4-chlorophenyl)sulfonyl-6-fluoro-2,4-dimethyl-2,3-dihydrochromene has a molecular weight of 354.83 g/mol, XLogP of 4.34, 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-6-fluoro-2,4-dimethyl-2,3-dihydrochromene is sourced from PubChem (CID 24875803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).