(1S,2S)-1-(benzenesulfonyl)-1-phenoxy-3-phenylpropan-2-ol

C21H20O4S — CID 166440530

IUPAC(1S,2S)-1-(benzenesulfonyl)-1-phenoxy-3-phenylpropan-2-ol
SMILESO=S(=O)(c1ccccc1)[C@H](Oc1ccccc1)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C21H20O4S/c22-20(16-17-10-4-1-5-11-17)21(25-18-12-6-2-7-13-18)26(23,24)19-14-8-3-9-15-19/h1-15,20-22H,16H2/t20-,21-/m0/s1
InChIKeyKYPUGXFCCNRCMB-SFTDATJTSA-N
MW368.45 g/mol
LogP3.47
Rot. Bonds7

About (1S,2S)-1-(benzenesulfonyl)-1-phenoxy-3-phenylpropan-2-ol

(1S,2S)-1-(benzenesulfonyl)-1-phenoxy-3-phenylpropan-2-ol (PubChem CID 166440530) has the molecular formula C21H20O4S and a molecular weight of 368.45 g/mol. Its IUPAC name is (1S,2S)-1-(benzenesulfonyl)-1-phenoxy-3-phenylpropan-2-ol.

Molecular Properties

Compound Name(1S,2S)-1-(benzenesulfonyl)-1-phenoxy-3-phenylpropan-2-ol
PubChem CID166440530
Molecular FormulaC21H20O4S
Molecular Weight368.45 g/mol
Exact Mass368.11
IUPAC Name(1S,2S)-1-(benzenesulfonyl)-1-phenoxy-3-phenylpropan-2-ol
SMILESO=S(=O)(c1ccccc1)[C@H](Oc1ccccc1)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C21H20O4S/c22-20(16-17-10-4-1-5-11-17)21(25-18-12-6-2-7-13-18)26(23,24)19-14-8-3-9-15-19/h1-15,20-22H,16H2/t20-,21-/m0/s1
InChIKeyKYPUGXFCCNRCMB-SFTDATJTSA-N
XLogP3.47
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-(benzenesulfonyl)-1-phenoxy-3-phenylpropan-2-ol?
The IUPAC name of (1S,2S)-1-(benzenesulfonyl)-1-phenoxy-3-phenylpropan-2-ol (CID 166440530) is (1S,2S)-1-(benzenesulfonyl)-1-phenoxy-3-phenylpropan-2-ol.
What is the SMILES notation for (1S,2S)-1-(benzenesulfonyl)-1-phenoxy-3-phenylpropan-2-ol?
The canonical SMILES for (1S,2S)-1-(benzenesulfonyl)-1-phenoxy-3-phenylpropan-2-ol is O=S(=O)(c1ccccc1)[C@H](Oc1ccccc1)[C@@H](O)Cc1ccccc1.
What is the InChIKey of (1S,2S)-1-(benzenesulfonyl)-1-phenoxy-3-phenylpropan-2-ol?
The InChIKey is KYPUGXFCCNRCMB-SFTDATJTSA-N. The full InChI is InChI=1S/C21H20O4S/c22-20(16-17-10-4-1-5-11-17)21(25-18-12-6-2-7-13-18)26(23,24)19-14-8-3-9-15-19/h1-15,20-22H,16H2/t20-,21-/m0/s1.
What are the key properties of (1S,2S)-1-(benzenesulfonyl)-1-phenoxy-3-phenylpropan-2-ol?
(1S,2S)-1-(benzenesulfonyl)-1-phenoxy-3-phenylpropan-2-ol has a molecular weight of 368.45 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-(benzenesulfonyl)-1-phenoxy-3-phenylpropan-2-ol is sourced from PubChem (CID 166440530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).