(1S)-2-(benzenesulfonyl)-1-phenylethanol

C14H14O3S — CID 11184587

IUPAC(1S)-2-(benzenesulfonyl)-1-phenylethanol
SMILESO=S(=O)(C[C@@H](O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14O3S/c15-14(12-7-3-1-4-8-12)11-18(16,17)13-9-5-2-6-10-13/h1-10,14-15H,11H2/t14-/m1/s1
InChIKeyPNFHXJXYVJWVKL-CQSZACIVSA-N
MW262.33 g/mol
LogP2.19
Rot. Bonds4

About (1S)-2-(benzenesulfonyl)-1-phenylethanol

(1S)-2-(benzenesulfonyl)-1-phenylethanol (PubChem CID 11184587) has the molecular formula C14H14O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is (1S)-2-(benzenesulfonyl)-1-phenylethanol.

Molecular Properties

Compound Name(1S)-2-(benzenesulfonyl)-1-phenylethanol
PubChem CID11184587
Molecular FormulaC14H14O3S
Molecular Weight262.33 g/mol
Exact Mass262.07
IUPAC Name(1S)-2-(benzenesulfonyl)-1-phenylethanol
SMILESO=S(=O)(C[C@@H](O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14O3S/c15-14(12-7-3-1-4-8-12)11-18(16,17)13-9-5-2-6-10-13/h1-10,14-15H,11H2/t14-/m1/s1
InChIKeyPNFHXJXYVJWVKL-CQSZACIVSA-N
XLogP2.19
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-(benzenesulfonyl)-1-phenylethanol?
The IUPAC name of (1S)-2-(benzenesulfonyl)-1-phenylethanol (CID 11184587) is (1S)-2-(benzenesulfonyl)-1-phenylethanol.
What is the SMILES notation for (1S)-2-(benzenesulfonyl)-1-phenylethanol?
The canonical SMILES for (1S)-2-(benzenesulfonyl)-1-phenylethanol is O=S(=O)(C[C@@H](O)c1ccccc1)c1ccccc1.
What is the InChIKey of (1S)-2-(benzenesulfonyl)-1-phenylethanol?
The InChIKey is PNFHXJXYVJWVKL-CQSZACIVSA-N. The full InChI is InChI=1S/C14H14O3S/c15-14(12-7-3-1-4-8-12)11-18(16,17)13-9-5-2-6-10-13/h1-10,14-15H,11H2/t14-/m1/s1.
What are the key properties of (1S)-2-(benzenesulfonyl)-1-phenylethanol?
(1S)-2-(benzenesulfonyl)-1-phenylethanol has a molecular weight of 262.33 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(benzenesulfonyl)-1-phenylethanol is sourced from PubChem (CID 11184587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).