2-hydroxy-1-[3-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]phenyl]ethanone

C18H20O4S — CID 58417517

IUPAC2-hydroxy-1-[3-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]phenyl]ethanone
SMILESCc1ccc(S(=O)(=O)C[C@H](C)c2cccc(C(=O)CO)c2)cc1
InChIInChI=1S/C18H20O4S/c1-13-6-8-17(9-7-13)23(21,22)12-14(2)15-4-3-5-16(10-15)18(20)11-19/h3-10,14,19H,11-12H2,1-2H3/t14-/m0/s1
InChIKeyMMZIGIVLSJMUHJ-AWEZNQCLSA-N
MW332.42 g/mol
LogP2.75
Rot. Bonds6

About 2-hydroxy-1-[3-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]phenyl]ethanone

2-hydroxy-1-[3-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]phenyl]ethanone (PubChem CID 58417517) has the molecular formula C18H20O4S and a molecular weight of 332.42 g/mol. Its IUPAC name is 2-hydroxy-1-[3-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]phenyl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[3-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]phenyl]ethanone
PubChem CID58417517
Molecular FormulaC18H20O4S
Molecular Weight332.42 g/mol
Exact Mass332.11
IUPAC Name2-hydroxy-1-[3-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]phenyl]ethanone
SMILESCc1ccc(S(=O)(=O)C[C@H](C)c2cccc(C(=O)CO)c2)cc1
InChIInChI=1S/C18H20O4S/c1-13-6-8-17(9-7-13)23(21,22)12-14(2)15-4-3-5-16(10-15)18(20)11-19/h3-10,14,19H,11-12H2,1-2H3/t14-/m0/s1
InChIKeyMMZIGIVLSJMUHJ-AWEZNQCLSA-N
XLogP2.75
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-3-hydroxy-2-[(4-methylphenyl)sulfonylmethyl]-1-phenylbutan-1-one
CID 100989865
(1R,2S)-3-(4-methylphenyl)sulfonyl-1,2-diphenylpropan-1-amine
CID 167596335
(2R,3R)-2-hydroxy-3-[(4-methylphenyl)sulfonylmethyl]heptan-4-one
CID 100989847
2-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]furan
CID 134965233
(3R)-3-[3-(2-hydroxyacetyl)phenyl]-1-(1-methylindol-2-yl)butan-1-one
CID 58417259
3-(4-methylphenyl)sulfonyl-2-[(4-methylphenyl)sulfonylmethyl]-1-[4-(2-methylpropanoyl)phenyl]propan-1-one
CID 139307124
2-methyl-3-(4-methylphenyl)sulfonyl-N-phenylpropanamide
CID 10245288
N-[(1S)-2-(4-methylphenyl)sulfonyl-1-phenylethoxy]-N-phenylbenzamide
CID 162413855
N-[(2R)-1-hydroxy-4-oxo-4-phenylbutan-2-yl]-4-methylbenzenesulfonamide
CID 102527600
1-(2,2-diiodoethylsulfonyl)-4-methylbenzene
CID 10993804
(2R)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpropan-2-amine
CID 169438793
3-amino-4-(4-methylphenyl)sulfonylbutan-1-ol
CID 64898402

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[3-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]phenyl]ethanone?
The IUPAC name of 2-hydroxy-1-[3-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]phenyl]ethanone (CID 58417517) is 2-hydroxy-1-[3-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]phenyl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[3-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]phenyl]ethanone?
The canonical SMILES for 2-hydroxy-1-[3-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]phenyl]ethanone is Cc1ccc(S(=O)(=O)C[C@H](C)c2cccc(C(=O)CO)c2)cc1.
What is the InChIKey of 2-hydroxy-1-[3-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]phenyl]ethanone?
The InChIKey is MMZIGIVLSJMUHJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20O4S/c1-13-6-8-17(9-7-13)23(21,22)12-14(2)15-4-3-5-16(10-15)18(20)11-19/h3-10,14,19H,11-12H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-hydroxy-1-[3-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]phenyl]ethanone?
2-hydroxy-1-[3-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]phenyl]ethanone has a molecular weight of 332.42 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[3-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]phenyl]ethanone is sourced from PubChem (CID 58417517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).