[(2S,4S,5R)-4-(benzenesulfonyl)-5-phenyloxolan-2-yl]methanol

C17H18O4S — CID 11278576

IUPAC[(2S,4S,5R)-4-(benzenesulfonyl)-5-phenyloxolan-2-yl]methanol
SMILESO=S(=O)(c1ccccc1)[C@H]1C[C@@H](CO)O[C@@H]1c1ccccc1
InChIInChI=1S/C17H18O4S/c18-12-14-11-16(17(21-14)13-7-3-1-4-8-13)22(19,20)15-9-5-2-6-10-15/h1-10,14,16-18H,11-12H2/t14-,16-,17+/m0/s1
InChIKeyVJBABEZRLRXEET-BHYGNILZSA-N
MW318.39 g/mol
LogP2.35
Rot. Bonds4

About [(2S,4S,5R)-4-(benzenesulfonyl)-5-phenyloxolan-2-yl]methanol

[(2S,4S,5R)-4-(benzenesulfonyl)-5-phenyloxolan-2-yl]methanol (PubChem CID 11278576) has the molecular formula C17H18O4S and a molecular weight of 318.39 g/mol. Its IUPAC name is [(2S,4S,5R)-4-(benzenesulfonyl)-5-phenyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S,5R)-4-(benzenesulfonyl)-5-phenyloxolan-2-yl]methanol
PubChem CID11278576
Molecular FormulaC17H18O4S
Molecular Weight318.39 g/mol
Exact Mass318.09
IUPAC Name[(2S,4S,5R)-4-(benzenesulfonyl)-5-phenyloxolan-2-yl]methanol
SMILESO=S(=O)(c1ccccc1)[C@H]1C[C@@H](CO)O[C@@H]1c1ccccc1
InChIInChI=1S/C17H18O4S/c18-12-14-11-16(17(21-14)13-7-3-1-4-8-13)22(19,20)15-9-5-2-6-10-15/h1-10,14,16-18H,11-12H2/t14-,16-,17+/m0/s1
InChIKeyVJBABEZRLRXEET-BHYGNILZSA-N
XLogP2.35
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(3-(p-tolylthio)phenyl)-tetrahydro-2H-pyran-3,4,5-triol
CID 9928933
5-Hydroxymethyl-2,3-bis-(4-methanesulfonylphenyl)tetrahydrofuran-3-ol
CID 44424016
Thiophene, tetrahydro-3,4-dibenzyloxy-, 1,1-dioxide, (Z)-
CID 3053243
Thiophene, tetrahydro-3,4-dibenzyloxy-, 1,1-dioxide, (E)-
CID 3053244
(1R)-3-(benzenesulfonyl)-1-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]propan-1-ol
CID 44264640
(1R,2S)-1,3-dimethoxy-1-(4-methylsulfonylphenyl)propan-2-ol
CID 56665069
(2S,3R)-3-methoxy-3-(4-methylsulfonylphenyl)propane-1,2-diol
CID 56676499
4-(Benzenesulfonyl)-4-fluoro-1-phenylmethoxyoctan-3-ol
CID 102270642
4-(Benzenesulfonyl)-4-fluoro-1-phenylmethoxynonadecan-3-ol
CID 135060993
4-(Benzenesulfonyl)-4-fluoro-1-phenylmethoxydodecan-3-ol
CID 135062260
4-(Benzenesulfonyl)-4-fluoro-1-phenylmethoxyheptadecan-3-ol
CID 135062265
(E)-4-(benzenesulfonyl)-1-phenylbut-3-en-1-ol
CID 13446897

Frequently Asked Questions

What is the IUPAC name of [(2S,4S,5R)-4-(benzenesulfonyl)-5-phenyloxolan-2-yl]methanol?
The IUPAC name of [(2S,4S,5R)-4-(benzenesulfonyl)-5-phenyloxolan-2-yl]methanol (CID 11278576) is [(2S,4S,5R)-4-(benzenesulfonyl)-5-phenyloxolan-2-yl]methanol.
What is the SMILES notation for [(2S,4S,5R)-4-(benzenesulfonyl)-5-phenyloxolan-2-yl]methanol?
The canonical SMILES for [(2S,4S,5R)-4-(benzenesulfonyl)-5-phenyloxolan-2-yl]methanol is O=S(=O)(c1ccccc1)[C@H]1C[C@@H](CO)O[C@@H]1c1ccccc1.
What is the InChIKey of [(2S,4S,5R)-4-(benzenesulfonyl)-5-phenyloxolan-2-yl]methanol?
The InChIKey is VJBABEZRLRXEET-BHYGNILZSA-N. The full InChI is InChI=1S/C17H18O4S/c18-12-14-11-16(17(21-14)13-7-3-1-4-8-13)22(19,20)15-9-5-2-6-10-15/h1-10,14,16-18H,11-12H2/t14-,16-,17+/m0/s1.
What are the key properties of [(2S,4S,5R)-4-(benzenesulfonyl)-5-phenyloxolan-2-yl]methanol?
[(2S,4S,5R)-4-(benzenesulfonyl)-5-phenyloxolan-2-yl]methanol has a molecular weight of 318.39 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S,5R)-4-(benzenesulfonyl)-5-phenyloxolan-2-yl]methanol is sourced from PubChem (CID 11278576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).