(2S)-1-(4-methylphenyl)sulfonyl-3-phenylpropan-2-ol

C16H18O3S — CID 14640296

IUPAC(2S)-1-(4-methylphenyl)sulfonyl-3-phenylpropan-2-ol
SMILESCc1ccc(S(=O)(=O)C[C@@H](O)Cc2ccccc2)cc1
InChIInChI=1S/C16H18O3S/c1-13-7-9-16(10-8-13)20(18,19)12-15(17)11-14-5-3-2-4-6-14/h2-10,15,17H,11-12H2,1H3/t15-/m0/s1
InChIKeySYHHYOZTXJEZBD-HNNXBMFYSA-N
MW290.38 g/mol
LogP2.37
Rot. Bonds5

About (2S)-1-(4-methylphenyl)sulfonyl-3-phenylpropan-2-ol

(2S)-1-(4-methylphenyl)sulfonyl-3-phenylpropan-2-ol (PubChem CID 14640296) has the molecular formula C16H18O3S and a molecular weight of 290.38 g/mol. Its IUPAC name is (2S)-1-(4-methylphenyl)sulfonyl-3-phenylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-methylphenyl)sulfonyl-3-phenylpropan-2-ol
PubChem CID14640296
Molecular FormulaC16H18O3S
Molecular Weight290.38 g/mol
Exact Mass290.10
IUPAC Name(2S)-1-(4-methylphenyl)sulfonyl-3-phenylpropan-2-ol
SMILESCc1ccc(S(=O)(=O)C[C@@H](O)Cc2ccccc2)cc1
InChIInChI=1S/C16H18O3S/c1-13-7-9-16(10-8-13)20(18,19)12-15(17)11-14-5-3-2-4-6-14/h2-10,15,17H,11-12H2,1H3/t15-/m0/s1
InChIKeySYHHYOZTXJEZBD-HNNXBMFYSA-N
XLogP2.37
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-hydroxy-1-(4-methylphenyl)sulfonyl-4-phenylbutan-2-one
CID 11438530
1-amino-3-(4-methylphenyl)sulfonylpropan-2-ol
CID 79022105
2-hydroxy-3-phenylpropane-1-sulfonic acid
CID 115029572
3-benzyl-4-hydroxy-1-(4-methylphenyl)sulfonylbutan-2-one
CID 101107104
(2S,3S)-3-hydroxy-2-[(4-methylphenyl)sulfonylmethyl]-1-phenylbutan-1-one
CID 100989865
[2-hydroxy-3-(4-methylphenyl)sulfonylpropyl] thiocyanate
CID 15054848
(1-amino-2-phenylethyl) 4-methylbenzenesulfonate
CID 56977431
2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl fluoride
CID 175585401
(2R)-1-(benzenesulfonyl)-3-(4-bromophenyl)sulfonylpropan-2-ol
CID 6976995
2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 3690831
7-amino-1-(4-methylphenyl)sulfonylheptan-2-ol
CID 118049409
benzyl 2-[[(2S)-2-benzyl-3-(4-methylphenyl)sulfonylpropanoyl]amino]acetate
CID 15461800

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methylphenyl)sulfonyl-3-phenylpropan-2-ol?
The IUPAC name of (2S)-1-(4-methylphenyl)sulfonyl-3-phenylpropan-2-ol (CID 14640296) is (2S)-1-(4-methylphenyl)sulfonyl-3-phenylpropan-2-ol.
What is the SMILES notation for (2S)-1-(4-methylphenyl)sulfonyl-3-phenylpropan-2-ol?
The canonical SMILES for (2S)-1-(4-methylphenyl)sulfonyl-3-phenylpropan-2-ol is Cc1ccc(S(=O)(=O)C[C@@H](O)Cc2ccccc2)cc1.
What is the InChIKey of (2S)-1-(4-methylphenyl)sulfonyl-3-phenylpropan-2-ol?
The InChIKey is SYHHYOZTXJEZBD-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H18O3S/c1-13-7-9-16(10-8-13)20(18,19)12-15(17)11-14-5-3-2-4-6-14/h2-10,15,17H,11-12H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-1-(4-methylphenyl)sulfonyl-3-phenylpropan-2-ol?
(2S)-1-(4-methylphenyl)sulfonyl-3-phenylpropan-2-ol has a molecular weight of 290.38 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-methylphenyl)sulfonyl-3-phenylpropan-2-ol is sourced from PubChem (CID 14640296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).