(3S,4R)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3-methyl-3,4-dihydro-2H-chromene

C16H13ClF2O3S — CID 46884829

IUPAC(3S,4R)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3-methyl-3,4-dihydro-2H-chromene
SMILESC[C@H]1COc2c(F)ccc(F)c2[C@@H]1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClF2O3S/c1-9-8-22-15-13(19)7-6-12(18)14(15)16(9)23(20,21)11-4-2-10(17)3-5-11/h2-7,9,16H,8H2,1H3/t9-,16+/m0/s1
InChIKeyARPFTHRTWBFKTG-XXFAHNHDSA-N
MW358.79 g/mol
LogP4.16
Rot. Bonds2

About (3S,4R)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3-methyl-3,4-dihydro-2H-chromene

(3S,4R)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3-methyl-3,4-dihydro-2H-chromene (PubChem CID 46884829) has the molecular formula C16H13ClF2O3S and a molecular weight of 358.79 g/mol. Its IUPAC name is (3S,4R)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3-methyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name(3S,4R)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3-methyl-3,4-dihydro-2H-chromene
PubChem CID46884829
Molecular FormulaC16H13ClF2O3S
Molecular Weight358.79 g/mol
Exact Mass358.02
IUPAC Name(3S,4R)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3-methyl-3,4-dihydro-2H-chromene
SMILESC[C@H]1COc2c(F)ccc(F)c2[C@@H]1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClF2O3S/c1-9-8-22-15-13(19)7-6-12(18)14(15)16(9)23(20,21)11-4-2-10(17)3-5-11/h2-7,9,16H,8H2,1H3/t9-,16+/m0/s1
InChIKeyARPFTHRTWBFKTG-XXFAHNHDSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S,4R)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3-methyl-3,4-dihydro-2H-chromene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3-methyl-3,4-dihydro-2H-chromene?
The IUPAC name of (3S,4R)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3-methyl-3,4-dihydro-2H-chromene (CID 46884829) is (3S,4R)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3-methyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for (3S,4R)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3-methyl-3,4-dihydro-2H-chromene?
The canonical SMILES for (3S,4R)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3-methyl-3,4-dihydro-2H-chromene is C[C@H]1COc2c(F)ccc(F)c2[C@@H]1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (3S,4R)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3-methyl-3,4-dihydro-2H-chromene?
The InChIKey is ARPFTHRTWBFKTG-XXFAHNHDSA-N. The full InChI is InChI=1S/C16H13ClF2O3S/c1-9-8-22-15-13(19)7-6-12(18)14(15)16(9)23(20,21)11-4-2-10(17)3-5-11/h2-7,9,16H,8H2,1H3/t9-,16+/m0/s1.
What are the key properties of (3S,4R)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3-methyl-3,4-dihydro-2H-chromene?
(3S,4R)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3-methyl-3,4-dihydro-2H-chromene has a molecular weight of 358.79 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3-methyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 46884829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).