(1R,2S)-2-(benzenesulfonyl)-1-phenylpropan-1-ol

C30H32O6S2 — CID 139180899

IUPAC(1R,2S)-2-(benzenesulfonyl)-1-phenylpropan-1-ol
SMILESC[C@@H]([C@H](O)c1ccccc1)S(=O)(=O)c1ccccc1.C[C@@H]([C@H](O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/2C15H16O3S/c2*1-12(15(16)13-8-4-2-5-9-13)19(17,18)14-10-6-3-7-11-14/h2*2-12,15-16H,1H3/t2*12-,15-/m00/s1
InChIKeyWZVOHIMPMFGVLY-AEGYSLAASA-N
MW552.71 g/mol
LogP5.16
Rot. Bonds8

About (1R,2S)-2-(benzenesulfonyl)-1-phenylpropan-1-ol

(1R,2S)-2-(benzenesulfonyl)-1-phenylpropan-1-ol (PubChem CID 139180899) has the molecular formula C30H32O6S2 and a molecular weight of 552.71 g/mol. Its IUPAC name is (1R,2S)-2-(benzenesulfonyl)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-(benzenesulfonyl)-1-phenylpropan-1-ol
PubChem CID139180899
Molecular FormulaC30H32O6S2
Molecular Weight552.71 g/mol
Exact Mass552.16
IUPAC Name(1R,2S)-2-(benzenesulfonyl)-1-phenylpropan-1-ol
SMILESC[C@@H]([C@H](O)c1ccccc1)S(=O)(=O)c1ccccc1.C[C@@H]([C@H](O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/2C15H16O3S/c2*1-12(15(16)13-8-4-2-5-9-13)19(17,18)14-10-6-3-7-11-14/h2*2-12,15-16H,1H3/t2*12-,15-/m00/s1
InChIKeyWZVOHIMPMFGVLY-AEGYSLAASA-N
XLogP5.16
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.71
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(S,E)-1-(2-(4-(4-fluorostyryl)phenylsulfonyl)phenyl)ethanol
CID 11545423
(E)-1-(2-(4-(4-fluorostyryl)phenylsulfonyl)phenyl)ethanol
CID 21099378
2-(2-Hydroxy-2,2-diphenylethyl)sulfonyl-1,1-diphenylethanol
CID 266077
1-Phenyl-2-(phenylsulfinyl)ethanol
CID 288472
2-(Benzenesulfonyl)-1-(4-fluorophenyl)ethanol
CID 12920544
Phenyl[2-(phenylsulfonyl)phenyl]methanol
CID 555704
(S)-1-Phenyl-2-(phenylsulfonyl)ethanol
CID 11184587
(1R)-2-(benzenesulfonyl)-1-phenylethanol
CID 12495322
(1R)-2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanol
CID 100972719
2-(Benzenesulfonyl)-2-fluoro-1-phenylethanol
CID 13460265
2-(Benzenesulfonyl)-2-fluoro-1-(2,3,4,5,6-pentafluorophenyl)ethanol
CID 13460268
2-(Benzenesulfonyl)-2-fluoro-1,1-diphenylethanol
CID 13460269

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-(benzenesulfonyl)-1-phenylpropan-1-ol?
The IUPAC name of (1R,2S)-2-(benzenesulfonyl)-1-phenylpropan-1-ol (CID 139180899) is (1R,2S)-2-(benzenesulfonyl)-1-phenylpropan-1-ol.
What is the SMILES notation for (1R,2S)-2-(benzenesulfonyl)-1-phenylpropan-1-ol?
The canonical SMILES for (1R,2S)-2-(benzenesulfonyl)-1-phenylpropan-1-ol is C[C@@H]([C@H](O)c1ccccc1)S(=O)(=O)c1ccccc1.C[C@@H]([C@H](O)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of (1R,2S)-2-(benzenesulfonyl)-1-phenylpropan-1-ol?
The InChIKey is WZVOHIMPMFGVLY-AEGYSLAASA-N. The full InChI is InChI=1S/2C15H16O3S/c2*1-12(15(16)13-8-4-2-5-9-13)19(17,18)14-10-6-3-7-11-14/h2*2-12,15-16H,1H3/t2*12-,15-/m00/s1.
What are the key properties of (1R,2S)-2-(benzenesulfonyl)-1-phenylpropan-1-ol?
(1R,2S)-2-(benzenesulfonyl)-1-phenylpropan-1-ol has a molecular weight of 552.71 g/mol, XLogP of 5.16, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-(benzenesulfonyl)-1-phenylpropan-1-ol is sourced from PubChem (CID 139180899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).