(2R)-2-[(4-chlorophenyl)sulfinylmethyl]-2,3-dihydropyran-6-one

C12H11ClO3S — CID 162666175

IUPAC(2R)-2-[(4-chlorophenyl)sulfinylmethyl]-2,3-dihydropyran-6-one
SMILESO=C1C=CC[C@H](CS(=O)c2ccc(Cl)cc2)O1
InChIInChI=1S/C12H11ClO3S/c13-9-4-6-11(7-5-9)17(15)8-10-2-1-3-12(14)16-10/h1,3-7,10H,2,8H2/t10-,17?/m1/s1
InChIKeyVRDGTYIUFAPVLZ-YQDUUYOCSA-N
MW270.74 g/mol
LogP2.32
Rot. Bonds3

About (2R)-2-[(4-chlorophenyl)sulfinylmethyl]-2,3-dihydropyran-6-one

(2R)-2-[(4-chlorophenyl)sulfinylmethyl]-2,3-dihydropyran-6-one (PubChem CID 162666175) has the molecular formula C12H11ClO3S and a molecular weight of 270.74 g/mol. Its IUPAC name is (2R)-2-[(4-chlorophenyl)sulfinylmethyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-2-[(4-chlorophenyl)sulfinylmethyl]-2,3-dihydropyran-6-one
PubChem CID162666175
Molecular FormulaC12H11ClO3S
Molecular Weight270.74 g/mol
Exact Mass270.01
IUPAC Name(2R)-2-[(4-chlorophenyl)sulfinylmethyl]-2,3-dihydropyran-6-one
SMILESO=C1C=CC[C@H](CS(=O)c2ccc(Cl)cc2)O1
InChIInChI=1S/C12H11ClO3S/c13-9-4-6-11(7-5-9)17(15)8-10-2-1-3-12(14)16-10/h1,3-7,10H,2,8H2/t10-,17?/m1/s1
InChIKeyVRDGTYIUFAPVLZ-YQDUUYOCSA-N
XLogP2.32
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.74
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Acrylic acid, 3-(p-chlorophenylsulfonyl)-, ethyl ester
CID 6259227
Methyl 2-(4-chlorophenyl)sulfinyl-4-methylpenta-2,3-dienoate
CID 5326236
Methyl (4-chlorobenzene-1-sulfinyl)acetate
CID 12554123
Propan-2-yl (4-chlorobenzene-1-sulfonyl)acetate
CID 11108625
Ethyl 2-(4-chlorophenyl)sulfinyl-2-fluoroacetate
CID 21762018
Ethyl [(4-chlorophenyl)sulfonyl]acetate
CID 560081
4-(4-chlorophenyl)sulfanyl-2H-furan-5-one
CID 13193087
[(2R,3S,6R)-3-acetyloxy-6-(4-chlorophenyl)sulfanyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 10926397
1-(4-Chlorophenyl)sulfanylpropan-2-yl acetate
CID 15563421
ethyl (Z)-3-(4-chlorophenyl)sulfanylprop-2-enoate
CID 46186560
[(2R)-1-(4-chlorophenyl)sulfonylpropan-2-yl] acetate
CID 102522649
3,4-Dichloro-5-(4-chlorophenylsulfonyl)furan-2(5h)-one
CID 129756576

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chlorophenyl)sulfinylmethyl]-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-2-[(4-chlorophenyl)sulfinylmethyl]-2,3-dihydropyran-6-one (CID 162666175) is (2R)-2-[(4-chlorophenyl)sulfinylmethyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-2-[(4-chlorophenyl)sulfinylmethyl]-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-2-[(4-chlorophenyl)sulfinylmethyl]-2,3-dihydropyran-6-one is O=C1C=CC[C@H](CS(=O)c2ccc(Cl)cc2)O1.
What is the InChIKey of (2R)-2-[(4-chlorophenyl)sulfinylmethyl]-2,3-dihydropyran-6-one?
The InChIKey is VRDGTYIUFAPVLZ-YQDUUYOCSA-N. The full InChI is InChI=1S/C12H11ClO3S/c13-9-4-6-11(7-5-9)17(15)8-10-2-1-3-12(14)16-10/h1,3-7,10H,2,8H2/t10-,17?/m1/s1.
What are the key properties of (2R)-2-[(4-chlorophenyl)sulfinylmethyl]-2,3-dihydropyran-6-one?
(2R)-2-[(4-chlorophenyl)sulfinylmethyl]-2,3-dihydropyran-6-one has a molecular weight of 270.74 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-chlorophenyl)sulfinylmethyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 162666175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).