(1R,2S)-2-(benzenesulfonyl)-1-(2-chlorophenyl)propan-1-ol

C15H15ClO3S — CID 102281162

IUPAC(1R,2S)-2-(benzenesulfonyl)-1-(2-chlorophenyl)propan-1-ol
SMILESC[C@@H]([C@H](O)c1ccccc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H15ClO3S/c1-11(15(17)13-9-5-6-10-14(13)16)20(18,19)12-7-3-2-4-8-12/h2-11,15,17H,1H3/t11-,15-/m0/s1
InChIKeyFOYYOADUGKMEMZ-NHYWBVRUSA-N
MW310.80 g/mol
LogP3.24
Rot. Bonds4

About (1R,2S)-2-(benzenesulfonyl)-1-(2-chlorophenyl)propan-1-ol

(1R,2S)-2-(benzenesulfonyl)-1-(2-chlorophenyl)propan-1-ol (PubChem CID 102281162) has the molecular formula C15H15ClO3S and a molecular weight of 310.80 g/mol. Its IUPAC name is (1R,2S)-2-(benzenesulfonyl)-1-(2-chlorophenyl)propan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-(benzenesulfonyl)-1-(2-chlorophenyl)propan-1-ol
PubChem CID102281162
Molecular FormulaC15H15ClO3S
Molecular Weight310.80 g/mol
Exact Mass310.04
IUPAC Name(1R,2S)-2-(benzenesulfonyl)-1-(2-chlorophenyl)propan-1-ol
SMILESC[C@@H]([C@H](O)c1ccccc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H15ClO3S/c1-11(15(17)13-9-5-6-10-14(13)16)20(18,19)12-7-3-2-4-8-12/h2-11,15,17H,1H3/t11-,15-/m0/s1
InChIKeyFOYYOADUGKMEMZ-NHYWBVRUSA-N
XLogP3.24
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.80
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-(benzenesulfonyl)-1-(2-chlorophenyl)propan-1-ol?
The IUPAC name of (1R,2S)-2-(benzenesulfonyl)-1-(2-chlorophenyl)propan-1-ol (CID 102281162) is (1R,2S)-2-(benzenesulfonyl)-1-(2-chlorophenyl)propan-1-ol.
What is the SMILES notation for (1R,2S)-2-(benzenesulfonyl)-1-(2-chlorophenyl)propan-1-ol?
The canonical SMILES for (1R,2S)-2-(benzenesulfonyl)-1-(2-chlorophenyl)propan-1-ol is C[C@@H]([C@H](O)c1ccccc1Cl)S(=O)(=O)c1ccccc1.
What is the InChIKey of (1R,2S)-2-(benzenesulfonyl)-1-(2-chlorophenyl)propan-1-ol?
The InChIKey is FOYYOADUGKMEMZ-NHYWBVRUSA-N. The full InChI is InChI=1S/C15H15ClO3S/c1-11(15(17)13-9-5-6-10-14(13)16)20(18,19)12-7-3-2-4-8-12/h2-11,15,17H,1H3/t11-,15-/m0/s1.
What are the key properties of (1R,2S)-2-(benzenesulfonyl)-1-(2-chlorophenyl)propan-1-ol?
(1R,2S)-2-(benzenesulfonyl)-1-(2-chlorophenyl)propan-1-ol has a molecular weight of 310.80 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-(benzenesulfonyl)-1-(2-chlorophenyl)propan-1-ol is sourced from PubChem (CID 102281162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).