(2R,3S)-2-(4-tert-butylphenyl)sulfonyl-3-fluoro-3-phenylpropan-1-ol

Name: (2R,3S)-2-(4-tert-butylphenyl)sulfonyl-3-fluoro-3-phenylpropan-1-ol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₉H₂₃FO₃S — CID 154713335

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(2R,3S)-2-(4-tert-butylphenyl)sulfonyl-3-fluoro-3-phenylpropan-1-ol

SMILESCC(C)(C)c1ccc(S(=O)(=O)[C@H](CO)[C@@H](F)c2ccccc2)cc1

InChIInChI=1S/C19H23FO3S/c1-19(2,3)15-9-11-16(12-10-15)24(22,23)17(13-21)18(20)14-7-5-4-6-8-14/h4-12,17-18,21H,13H2,1-3H3/t17-,18+/m1/s1

InChIKeyDBCXEPPKTOBYHR-MSOLQXFVSA-N

MW350.45 g/mol

LogP3.83

Rot. Bonds5

About (2R,3S)-2-(4-tert-butylphenyl)sulfonyl-3-fluoro-3-phenylpropan-1-ol

(2R,3S)-2-(4-tert-butylphenyl)sulfonyl-3-fluoro-3-phenylpropan-1-ol (PubChem CID 154713335) has the molecular formula C₁₉H₂₃FO₃S and a molecular weight of 350.45 g/mol. Its IUPAC name is (2R,3S)-2-(4-tert-butylphenyl)sulfonyl-3-fluoro-3-phenylpropan-1-ol.

Molecular Properties

Compound Name	(2R,3S)-2-(4-tert-butylphenyl)sulfonyl-3-fluoro-3-phenylpropan-1-ol
PubChem CID	154713335
Molecular Formula	C₁₉H₂₃FO₃S
Molecular Weight	350.45 g/mol
Exact Mass	350.14
IUPAC Name	(2R,3S)-2-(4-tert-butylphenyl)sulfonyl-3-fluoro-3-phenylpropan-1-ol
SMILES	CC(C)(C)c1ccc(S(=O)(=O)[C@H](CO)[C@@H](F)c2ccccc2)cc1
InChI	InChI=1S/C19H23FO3S/c1-19(2,3)15-9-11-16(12-10-15)24(22,23)17(13-21)18(20)14-7-5-4-6-8-14/h4-12,17-18,21H,13H2,1-3H3/t17-,18+/m1/s1
InChIKey	DBCXEPPKTOBYHR-MSOLQXFVSA-N
XLogP	3.83
TPSA	54.37 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	5
Heavy Atoms	24
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.45
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(4-tert-butylphenyl)sulfonyl-3-fluoro-3-phenylpropan-1-ol?

The IUPAC name of (2R,3S)-2-(4-tert-butylphenyl)sulfonyl-3-fluoro-3-phenylpropan-1-ol (CID 154713335) is (2R,3S)-2-(4-tert-butylphenyl)sulfonyl-3-fluoro-3-phenylpropan-1-ol.

What is the SMILES notation for (2R,3S)-2-(4-tert-butylphenyl)sulfonyl-3-fluoro-3-phenylpropan-1-ol?

The canonical SMILES for (2R,3S)-2-(4-tert-butylphenyl)sulfonyl-3-fluoro-3-phenylpropan-1-ol is CC(C)(C)c1ccc(S(=O)(=O)[C@H](CO)[C@@H](F)c2ccccc2)cc1.

What is the InChIKey of (2R,3S)-2-(4-tert-butylphenyl)sulfonyl-3-fluoro-3-phenylpropan-1-ol?

The InChIKey is DBCXEPPKTOBYHR-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H23FO3S/c1-19(2,3)15-9-11-16(12-10-15)24(22,23)17(13-21)18(20)14-7-5-4-6-8-14/h4-12,17-18,21H,13H2,1-3H3/t17-,18+/m1/s1.

What are the key properties of (2R,3S)-2-(4-tert-butylphenyl)sulfonyl-3-fluoro-3-phenylpropan-1-ol?

(2R,3S)-2-(4-tert-butylphenyl)sulfonyl-3-fluoro-3-phenylpropan-1-ol has a molecular weight of 350.45 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S)-2-(4-tert-butylphenyl)sulfonyl-3-fluoro-3-phenylpropan-1-ol is sourced from PubChem (CID 154713335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 154713335 — identifiers, structure, computed properties (public domain)

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