(4S)-3-(4-phenylphenyl)sulfonyl-4-propyloxolan-2-one

C19H20O4S — CID 166970262

IUPAC(4S)-3-(4-phenylphenyl)sulfonyl-4-propyloxolan-2-one
SMILESCCC[C@H]1COC(=O)C1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H20O4S/c1-2-6-16-13-23-19(20)18(16)24(21,22)17-11-9-15(10-12-17)14-7-4-3-5-8-14/h3-5,7-12,16,18H,2,6,13H2,1H3/t16-,18?/m0/s1
InChIKeyZSYWENLDBSAVEV-ATNAJCNCSA-N
MW344.43 g/mol
LogP3.47
Rot. Bonds5

About (4S)-3-(4-phenylphenyl)sulfonyl-4-propyloxolan-2-one

(4S)-3-(4-phenylphenyl)sulfonyl-4-propyloxolan-2-one (PubChem CID 166970262) has the molecular formula C19H20O4S and a molecular weight of 344.43 g/mol. Its IUPAC name is (4S)-3-(4-phenylphenyl)sulfonyl-4-propyloxolan-2-one.

Molecular Properties

Compound Name(4S)-3-(4-phenylphenyl)sulfonyl-4-propyloxolan-2-one
PubChem CID166970262
Molecular FormulaC19H20O4S
Molecular Weight344.43 g/mol
Exact Mass344.11
IUPAC Name(4S)-3-(4-phenylphenyl)sulfonyl-4-propyloxolan-2-one
SMILESCCC[C@H]1COC(=O)C1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H20O4S/c1-2-6-16-13-23-19(20)18(16)24(21,22)17-11-9-15(10-12-17)14-7-4-3-5-8-14/h3-5,7-12,16,18H,2,6,13H2,1H3/t16-,18?/m0/s1
InChIKeyZSYWENLDBSAVEV-ATNAJCNCSA-N
XLogP3.47
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-naphthylsulfonyl)dihydro-2(3H)-furanone
CID 667162
4-(4-Methylphenyl)sulfonyl-4-oxanecarboxylic acid methyl ester
CID 3239604
3-(4-Methylphenyl)sulfonyloxolan-2-one
CID 2947420
Ethyl 2-(4-phenylphenyl)sulfonylacetate
CID 13628775
Methyl 3-cyclopentyl-2-(4-methylsulfonylphenyl)propionate
CID 19261331
6-(4-Benzylphenyl)sulfonylhexanoic acid
CID 15667472
trans-Dihydrorofecoxib
CID 44323766
4-(4-methylsulfonylphenyl)-3-phenyl-3H-furan-2-one
CID 69758595
3-(3-Fluorophenyl)-5,5-dimethyl-4-(4-methylsulfonylphenyl)oxolan-2-one
CID 9975893
(3S,4R,5R)-3-(benzenesulfonyl)-3,4-bis(prop-2-enyl)-5-propyloxolan-2-one
CID 11739536
sodium (4R,5S)-6-hydroxy-5-(4-methylsulfonylphenyl)-4-phenylhexanoate
CID 44323818
(3R,4S)-4-(4-Methanesulfonyl-phenyl)-3-phenyl-dihydro-furan-2-one
CID 44323830

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(4-phenylphenyl)sulfonyl-4-propyloxolan-2-one?
The IUPAC name of (4S)-3-(4-phenylphenyl)sulfonyl-4-propyloxolan-2-one (CID 166970262) is (4S)-3-(4-phenylphenyl)sulfonyl-4-propyloxolan-2-one.
What is the SMILES notation for (4S)-3-(4-phenylphenyl)sulfonyl-4-propyloxolan-2-one?
The canonical SMILES for (4S)-3-(4-phenylphenyl)sulfonyl-4-propyloxolan-2-one is CCC[C@H]1COC(=O)C1S(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (4S)-3-(4-phenylphenyl)sulfonyl-4-propyloxolan-2-one?
The InChIKey is ZSYWENLDBSAVEV-ATNAJCNCSA-N. The full InChI is InChI=1S/C19H20O4S/c1-2-6-16-13-23-19(20)18(16)24(21,22)17-11-9-15(10-12-17)14-7-4-3-5-8-14/h3-5,7-12,16,18H,2,6,13H2,1H3/t16-,18?/m0/s1.
What are the key properties of (4S)-3-(4-phenylphenyl)sulfonyl-4-propyloxolan-2-one?
(4S)-3-(4-phenylphenyl)sulfonyl-4-propyloxolan-2-one has a molecular weight of 344.43 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(4-phenylphenyl)sulfonyl-4-propyloxolan-2-one is sourced from PubChem (CID 166970262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).