(2R,3R)-2-(benzenesulfonyl)-3-(4-bromophenyl)oxetane

C15H13BrO3S — CID 102320275

IUPAC(2R,3R)-2-(benzenesulfonyl)-3-(4-bromophenyl)oxetane
SMILESO=S(=O)(c1ccccc1)[C@H]1OC[C@H]1c1ccc(Br)cc1
InChIInChI=1S/C15H13BrO3S/c16-12-8-6-11(7-9-12)14-10-19-15(14)20(17,18)13-4-2-1-3-5-13/h1-9,14-15H,10H2/t14-,15+/m0/s1
InChIKeyTVZSXNDYDOAMJS-LSDHHAIUSA-N
MW353.24 g/mol
LogP3.36
Rot. Bonds3

About (2R,3R)-2-(benzenesulfonyl)-3-(4-bromophenyl)oxetane

(2R,3R)-2-(benzenesulfonyl)-3-(4-bromophenyl)oxetane (PubChem CID 102320275) has the molecular formula C15H13BrO3S and a molecular weight of 353.24 g/mol. Its IUPAC name is (2R,3R)-2-(benzenesulfonyl)-3-(4-bromophenyl)oxetane.

Molecular Properties

Compound Name(2R,3R)-2-(benzenesulfonyl)-3-(4-bromophenyl)oxetane
PubChem CID102320275
Molecular FormulaC15H13BrO3S
Molecular Weight353.24 g/mol
Exact Mass351.98
IUPAC Name(2R,3R)-2-(benzenesulfonyl)-3-(4-bromophenyl)oxetane
SMILESO=S(=O)(c1ccccc1)[C@H]1OC[C@H]1c1ccc(Br)cc1
InChIInChI=1S/C15H13BrO3S/c16-12-8-6-11(7-9-12)14-10-19-15(14)20(17,18)13-4-2-1-3-5-13/h1-9,14-15H,10H2/t14-,15+/m0/s1
InChIKeyTVZSXNDYDOAMJS-LSDHHAIUSA-N
XLogP3.36
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(benzenesulfonyl)-3-(4-bromophenyl)oxetane?
The IUPAC name of (2R,3R)-2-(benzenesulfonyl)-3-(4-bromophenyl)oxetane (CID 102320275) is (2R,3R)-2-(benzenesulfonyl)-3-(4-bromophenyl)oxetane.
What is the SMILES notation for (2R,3R)-2-(benzenesulfonyl)-3-(4-bromophenyl)oxetane?
The canonical SMILES for (2R,3R)-2-(benzenesulfonyl)-3-(4-bromophenyl)oxetane is O=S(=O)(c1ccccc1)[C@H]1OC[C@H]1c1ccc(Br)cc1.
What is the InChIKey of (2R,3R)-2-(benzenesulfonyl)-3-(4-bromophenyl)oxetane?
The InChIKey is TVZSXNDYDOAMJS-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H13BrO3S/c16-12-8-6-11(7-9-12)14-10-19-15(14)20(17,18)13-4-2-1-3-5-13/h1-9,14-15H,10H2/t14-,15+/m0/s1.
What are the key properties of (2R,3R)-2-(benzenesulfonyl)-3-(4-bromophenyl)oxetane?
(2R,3R)-2-(benzenesulfonyl)-3-(4-bromophenyl)oxetane has a molecular weight of 353.24 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(benzenesulfonyl)-3-(4-bromophenyl)oxetane is sourced from PubChem (CID 102320275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).