(2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-3-phenylmethoxypropan-2-ol

C17H19FO4S — CID 102152115

IUPAC(2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-3-phenylmethoxypropan-2-ol
SMILESC[C@@](O)(COCc1ccccc1)CS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H19FO4S/c1-17(19,12-22-11-14-5-3-2-4-6-14)13-23(20,21)16-9-7-15(18)8-10-16/h2-10,19H,11-13H2,1H3/t17-/m1/s1
InChIKeyRGAJMBXQWQKEPL-QGZVFWFLSA-N
MW338.40 g/mol
LogP2.57
Rot. Bonds7

About (2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-3-phenylmethoxypropan-2-ol

(2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-3-phenylmethoxypropan-2-ol (PubChem CID 102152115) has the molecular formula C17H19FO4S and a molecular weight of 338.40 g/mol. Its IUPAC name is (2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-3-phenylmethoxypropan-2-ol
PubChem CID102152115
Molecular FormulaC17H19FO4S
Molecular Weight338.40 g/mol
Exact Mass338.10
IUPAC Name(2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-3-phenylmethoxypropan-2-ol
SMILESC[C@@](O)(COCc1ccccc1)CS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H19FO4S/c1-17(19,12-22-11-14-5-3-2-4-6-14)13-23(20,21)16-9-7-15(18)8-10-16/h2-10,19H,11-13H2,1H3/t17-/m1/s1
InChIKeyRGAJMBXQWQKEPL-QGZVFWFLSA-N
XLogP2.57
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-3-phenylmethoxypropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US9771320, Example 49
CID 118220789
US9771320, Example 50
CID 118220747
5-Benzyl-5-ethyl-4-[(4-fluorophenyl)methoxy]oxathiole 2,2-dioxide
CID 25257437
(2R)-3-(Benzyloxy)-2-hydroxypropyl 4-methylbenzene-1-sulfonate
CID 13644871
Thiophene, tetrahydro-3,4-dibenzyloxy-, 1,1-dioxide, (Z)-
CID 3053243
Thiophene, tetrahydro-3,4-dibenzyloxy-, 1,1-dioxide, (E)-
CID 3053244
2-Fluorobenzyl 3-[(4-methylphenyl)sulfonyl]propanoate
CID 2221601
(1R)-3-(benzenesulfonyl)-1-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]propan-1-ol
CID 44264640
2-(Benzenesulfonyl)-3-(4-fluorophenyl)oxirane
CID 73345888
1-methyl-4-[(E)-3-phenylmethoxyprop-1-enyl]sulfonylbenzene
CID 101696273
1,2-Propanediol, 3-(phenylmethoxy)-, 1-(4-methylbenzenesulfonate), (2S)-
CID 13644870
(5S,9S,10S)-8-(benzenesulfonyl)-6,6-difluoro-2,2-dimethyl-9-phenylmethoxy-1,3-dioxaspiro[4.5]dec-7-en-10-ol
CID 11190520

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-3-phenylmethoxypropan-2-ol?
The IUPAC name of (2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-3-phenylmethoxypropan-2-ol (CID 102152115) is (2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for (2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-3-phenylmethoxypropan-2-ol?
The canonical SMILES for (2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-3-phenylmethoxypropan-2-ol is C[C@@](O)(COCc1ccccc1)CS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-3-phenylmethoxypropan-2-ol?
The InChIKey is RGAJMBXQWQKEPL-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H19FO4S/c1-17(19,12-22-11-14-5-3-2-4-6-14)13-23(20,21)16-9-7-15(18)8-10-16/h2-10,19H,11-13H2,1H3/t17-/m1/s1.
What are the key properties of (2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-3-phenylmethoxypropan-2-ol?
(2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-3-phenylmethoxypropan-2-ol has a molecular weight of 338.40 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 102152115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).