(2R)-1-(benzenesulfonyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol

C15H15FO3S2 — CID 1474072

IUPAC(2R)-1-(benzenesulfonyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol
SMILESO=S(=O)(C[C@H](O)CSc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C15H15FO3S2/c16-12-6-8-14(9-7-12)20-10-13(17)11-21(18,19)15-4-2-1-3-5-15/h1-9,13,17H,10-11H2/t13-/m1/s1
InChIKeyNXMORFIFWZNCIS-CYBMUJFWSA-N
MW326.41 g/mol
LogP2.75
Rot. Bonds6

About (2R)-1-(benzenesulfonyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol

(2R)-1-(benzenesulfonyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol (PubChem CID 1474072) has the molecular formula C15H15FO3S2 and a molecular weight of 326.41 g/mol. Its IUPAC name is (2R)-1-(benzenesulfonyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(benzenesulfonyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol
PubChem CID1474072
Molecular FormulaC15H15FO3S2
Molecular Weight326.41 g/mol
Exact Mass326.04
IUPAC Name(2R)-1-(benzenesulfonyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol
SMILESO=S(=O)(C[C@H](O)CSc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C15H15FO3S2/c16-12-6-8-14(9-7-12)20-10-13(17)11-21(18,19)15-4-2-1-3-5-15/h1-9,13,17H,10-11H2/t13-/m1/s1
InChIKeyNXMORFIFWZNCIS-CYBMUJFWSA-N
XLogP2.75
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol
CID 3799276
2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanol
CID 12920544
3-(benzenesulfonyl)-1,2-bis(4-fluorophenyl)propan-1-one
CID 122231061
(2R)-1-(benzenesulfonyl)-3-(4-bromophenyl)sulfonylpropan-2-ol
CID 6976995
1-(4-fluorophenyl)sulfanylheptan-2-ol
CID 66070965
1-(2,6-difluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol
CID 114931542
1-(benzenesulfonyl)-3-methoxypropan-2-ol
CID 107508907
(2S)-1-(benzenesulfonyl)propan-2-ol
CID 11127286
1-[3-(benzenesulfonyl)prop-1-en-2-yl]-4-fluorobenzene
CID 14580172
1-ethoxy-3-(4-fluorophenyl)sulfonylpropan-2-ol
CID 64717111
[2-(benzenesulfonyl)-1-fluoroethyl]benzene
CID 72723300
1-(2-amino-3-pyridinyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol
CID 66070761

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(benzenesulfonyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol?
The IUPAC name of (2R)-1-(benzenesulfonyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol (CID 1474072) is (2R)-1-(benzenesulfonyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol.
What is the SMILES notation for (2R)-1-(benzenesulfonyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol?
The canonical SMILES for (2R)-1-(benzenesulfonyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol is O=S(=O)(C[C@H](O)CSc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of (2R)-1-(benzenesulfonyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol?
The InChIKey is NXMORFIFWZNCIS-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H15FO3S2/c16-12-6-8-14(9-7-12)20-10-13(17)11-21(18,19)15-4-2-1-3-5-15/h1-9,13,17H,10-11H2/t13-/m1/s1.
What are the key properties of (2R)-1-(benzenesulfonyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol?
(2R)-1-(benzenesulfonyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol has a molecular weight of 326.41 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(benzenesulfonyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 1474072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).