1-methylsulfonyl-2-[(R)-2-phenylethylsulfinyl]benzene

C15H16O3S2 — CID 97222863

IUPAC1-methylsulfonyl-2-[(R)-2-phenylethylsulfinyl]benzene
SMILESCS(=O)(=O)c1ccccc1[S@](=O)CCc1ccccc1
InChIInChI=1S/C15H16O3S2/c1-20(17,18)15-10-6-5-9-14(15)19(16)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3/t19-/m1/s1
InChIKeyAMPVTHSCYZZQBC-LJQANCHMSA-N
MW308.42 g/mol
LogP2.44
Rot. Bonds5

About 1-methylsulfonyl-2-[(R)-2-phenylethylsulfinyl]benzene

1-methylsulfonyl-2-[(R)-2-phenylethylsulfinyl]benzene (PubChem CID 97222863) has the molecular formula C15H16O3S2 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-methylsulfonyl-2-[(R)-2-phenylethylsulfinyl]benzene.

Molecular Properties

Compound Name1-methylsulfonyl-2-[(R)-2-phenylethylsulfinyl]benzene
PubChem CID97222863
Molecular FormulaC15H16O3S2
Molecular Weight308.42 g/mol
Exact Mass308.05
IUPAC Name1-methylsulfonyl-2-[(R)-2-phenylethylsulfinyl]benzene
SMILESCS(=O)(=O)c1ccccc1[S@](=O)CCc1ccccc1
InChIInChI=1S/C15H16O3S2/c1-20(17,18)15-10-6-5-9-14(15)19(16)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3/t19-/m1/s1
InChIKeyAMPVTHSCYZZQBC-LJQANCHMSA-N
XLogP2.44
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-2-[(R)-2-phenylethylsulfinyl]benzene?
The IUPAC name of 1-methylsulfonyl-2-[(R)-2-phenylethylsulfinyl]benzene (CID 97222863) is 1-methylsulfonyl-2-[(R)-2-phenylethylsulfinyl]benzene.
What is the SMILES notation for 1-methylsulfonyl-2-[(R)-2-phenylethylsulfinyl]benzene?
The canonical SMILES for 1-methylsulfonyl-2-[(R)-2-phenylethylsulfinyl]benzene is CS(=O)(=O)c1ccccc1[S@](=O)CCc1ccccc1.
What is the InChIKey of 1-methylsulfonyl-2-[(R)-2-phenylethylsulfinyl]benzene?
The InChIKey is AMPVTHSCYZZQBC-LJQANCHMSA-N. The full InChI is InChI=1S/C15H16O3S2/c1-20(17,18)15-10-6-5-9-14(15)19(16)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3/t19-/m1/s1.
What are the key properties of 1-methylsulfonyl-2-[(R)-2-phenylethylsulfinyl]benzene?
1-methylsulfonyl-2-[(R)-2-phenylethylsulfinyl]benzene has a molecular weight of 308.42 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-2-[(R)-2-phenylethylsulfinyl]benzene is sourced from PubChem (CID 97222863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).