(1S)-2-(benzenesulfonyl)-1-(4-chlorophenyl)ethanol

C14H13ClO3S — CID 101211641

IUPAC(1S)-2-(benzenesulfonyl)-1-(4-chlorophenyl)ethanol
SMILESO=S(=O)(C[C@@H](O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C14H13ClO3S/c15-12-8-6-11(7-9-12)14(16)10-19(17,18)13-4-2-1-3-5-13/h1-9,14,16H,10H2/t14-/m1/s1
InChIKeyBJGZMVFYFXAQCE-CQSZACIVSA-N
MW296.78 g/mol
LogP2.85
Rot. Bonds4

About (1S)-2-(benzenesulfonyl)-1-(4-chlorophenyl)ethanol

(1S)-2-(benzenesulfonyl)-1-(4-chlorophenyl)ethanol (PubChem CID 101211641) has the molecular formula C14H13ClO3S and a molecular weight of 296.78 g/mol. Its IUPAC name is (1S)-2-(benzenesulfonyl)-1-(4-chlorophenyl)ethanol.

Molecular Properties

Compound Name(1S)-2-(benzenesulfonyl)-1-(4-chlorophenyl)ethanol
PubChem CID101211641
Molecular FormulaC14H13ClO3S
Molecular Weight296.78 g/mol
Exact Mass296.03
IUPAC Name(1S)-2-(benzenesulfonyl)-1-(4-chlorophenyl)ethanol
SMILESO=S(=O)(C[C@@H](O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C14H13ClO3S/c15-12-8-6-11(7-9-12)14(16)10-19(17,18)13-4-2-1-3-5-13/h1-9,14,16H,10H2/t14-/m1/s1
InChIKeyBJGZMVFYFXAQCE-CQSZACIVSA-N
XLogP2.85
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 52.85
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-(4-chlorophenyl)ethanol?
The IUPAC name of (1S)-2-(benzenesulfonyl)-1-(4-chlorophenyl)ethanol (CID 101211641) is (1S)-2-(benzenesulfonyl)-1-(4-chlorophenyl)ethanol.
What is the SMILES notation for (1S)-2-(benzenesulfonyl)-1-(4-chlorophenyl)ethanol?
The canonical SMILES for (1S)-2-(benzenesulfonyl)-1-(4-chlorophenyl)ethanol is O=S(=O)(C[C@@H](O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of (1S)-2-(benzenesulfonyl)-1-(4-chlorophenyl)ethanol?
The InChIKey is BJGZMVFYFXAQCE-CQSZACIVSA-N. The full InChI is InChI=1S/C14H13ClO3S/c15-12-8-6-11(7-9-12)14(16)10-19(17,18)13-4-2-1-3-5-13/h1-9,14,16H,10H2/t14-/m1/s1.
What are the key properties of (1S)-2-(benzenesulfonyl)-1-(4-chlorophenyl)ethanol?
(1S)-2-(benzenesulfonyl)-1-(4-chlorophenyl)ethanol has a molecular weight of 296.78 g/mol, XLogP of 2.85, 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-(4-chlorophenyl)ethanol is sourced from PubChem (CID 101211641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).