(2R)-1-(benzenesulfonyl)-3-(4-bromophenyl)sulfonylpropan-2-ol

C15H15BrO5S2 — CID 6976995

IUPAC(2R)-1-(benzenesulfonyl)-3-(4-bromophenyl)sulfonylpropan-2-ol
SMILESO=S(=O)(C[C@@H](O)CS(=O)(=O)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C15H15BrO5S2/c16-12-6-8-15(9-7-12)23(20,21)11-13(17)10-22(18,19)14-4-2-1-3-5-14/h1-9,13,17H,10-11H2/t13-/m1/s1
InChIKeyQFWDJGHINFDWSE-CYBMUJFWSA-N
MW419.32 g/mol
LogP2.06
Rot. Bonds6

About (2R)-1-(benzenesulfonyl)-3-(4-bromophenyl)sulfonylpropan-2-ol

(2R)-1-(benzenesulfonyl)-3-(4-bromophenyl)sulfonylpropan-2-ol (PubChem CID 6976995) has the molecular formula C15H15BrO5S2 and a molecular weight of 419.32 g/mol. Its IUPAC name is (2R)-1-(benzenesulfonyl)-3-(4-bromophenyl)sulfonylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(benzenesulfonyl)-3-(4-bromophenyl)sulfonylpropan-2-ol
PubChem CID6976995
Molecular FormulaC15H15BrO5S2
Molecular Weight419.32 g/mol
Exact Mass417.95
IUPAC Name(2R)-1-(benzenesulfonyl)-3-(4-bromophenyl)sulfonylpropan-2-ol
SMILESO=S(=O)(C[C@@H](O)CS(=O)(=O)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C15H15BrO5S2/c16-12-6-8-15(9-7-12)23(20,21)11-13(17)10-22(18,19)14-4-2-1-3-5-14/h1-9,13,17H,10-11H2/t13-/m1/s1
InChIKeyQFWDJGHINFDWSE-CYBMUJFWSA-N
XLogP2.06
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(benzenesulfonyl)-3-(4-bromophenyl)sulfonylpropan-2-ol?
The IUPAC name of (2R)-1-(benzenesulfonyl)-3-(4-bromophenyl)sulfonylpropan-2-ol (CID 6976995) is (2R)-1-(benzenesulfonyl)-3-(4-bromophenyl)sulfonylpropan-2-ol.
What is the SMILES notation for (2R)-1-(benzenesulfonyl)-3-(4-bromophenyl)sulfonylpropan-2-ol?
The canonical SMILES for (2R)-1-(benzenesulfonyl)-3-(4-bromophenyl)sulfonylpropan-2-ol is O=S(=O)(C[C@@H](O)CS(=O)(=O)c1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of (2R)-1-(benzenesulfonyl)-3-(4-bromophenyl)sulfonylpropan-2-ol?
The InChIKey is QFWDJGHINFDWSE-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H15BrO5S2/c16-12-6-8-15(9-7-12)23(20,21)11-13(17)10-22(18,19)14-4-2-1-3-5-14/h1-9,13,17H,10-11H2/t13-/m1/s1.
What are the key properties of (2R)-1-(benzenesulfonyl)-3-(4-bromophenyl)sulfonylpropan-2-ol?
(2R)-1-(benzenesulfonyl)-3-(4-bromophenyl)sulfonylpropan-2-ol has a molecular weight of 419.32 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(benzenesulfonyl)-3-(4-bromophenyl)sulfonylpropan-2-ol is sourced from PubChem (CID 6976995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).