(2R)-2-[3-(2-bromophenyl)propylsulfonylmethyl]oxolane

C14H19BrO3S — CID 99820888

IUPAC(2R)-2-[3-(2-bromophenyl)propylsulfonylmethyl]oxolane
SMILESO=S(=O)(CCCc1ccccc1Br)C[C@H]1CCCO1
InChIInChI=1S/C14H19BrO3S/c15-14-8-2-1-5-12(14)6-4-10-19(16,17)11-13-7-3-9-18-13/h1-2,5,8,13H,3-4,6-7,9-11H2/t13-/m1/s1
InChIKeyVAUDOOHKZPMNEI-CYBMUJFWSA-N
MW347.27 g/mol
LogP2.98
Rot. Bonds6

About (2R)-2-[3-(2-bromophenyl)propylsulfonylmethyl]oxolane

(2R)-2-[3-(2-bromophenyl)propylsulfonylmethyl]oxolane (PubChem CID 99820888) has the molecular formula C14H19BrO3S and a molecular weight of 347.27 g/mol. Its IUPAC name is (2R)-2-[3-(2-bromophenyl)propylsulfonylmethyl]oxolane.

Molecular Properties

Compound Name(2R)-2-[3-(2-bromophenyl)propylsulfonylmethyl]oxolane
PubChem CID99820888
Molecular FormulaC14H19BrO3S
Molecular Weight347.27 g/mol
Exact Mass346.02
IUPAC Name(2R)-2-[3-(2-bromophenyl)propylsulfonylmethyl]oxolane
SMILESO=S(=O)(CCCc1ccccc1Br)C[C@H]1CCCO1
InChIInChI=1S/C14H19BrO3S/c15-14-8-2-1-5-12(14)6-4-10-19(16,17)11-13-7-3-9-18-13/h1-2,5,8,13H,3-4,6-7,9-11H2/t13-/m1/s1
InChIKeyVAUDOOHKZPMNEI-CYBMUJFWSA-N
XLogP2.98
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.27
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-phenylpropylsulfonylmethyl)oxane
CID 78850846
1-(2-bromophenyl)-2-(oxolan-2-ylmethylsulfonyl)ethanone
CID 106497076
4-[2-(oxolan-2-ylmethylsulfonyl)ethyl]aniline
CID 106494893
2-[2-(oxolan-2-ylmethylsulfonyl)ethoxy]aniline
CID 106494924
2-[2-(2-bromophenyl)ethylsulfonylmethyl]azetidine
CID 115071174
N-[2-(bromomethyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide
CID 113271470
3-methyl-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]aniline
CID 106513613
N-[2-(methylaminomethyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63247176
2-[(4-bromophenyl)sulfonylmethyl]oxolane
CID 15474559
4-(oxolan-2-ylmethylsulfonyl)-N-propan-2-ylbutan-1-amine
CID 106513606
2-[2-[(2-bromophenyl)methyl]-3-chloropropyl]oxolane
CID 66049471
2-(oxan-2-ylmethylsulfonyl)ethanol
CID 71857024

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(2-bromophenyl)propylsulfonylmethyl]oxolane?
The IUPAC name of (2R)-2-[3-(2-bromophenyl)propylsulfonylmethyl]oxolane (CID 99820888) is (2R)-2-[3-(2-bromophenyl)propylsulfonylmethyl]oxolane.
What is the SMILES notation for (2R)-2-[3-(2-bromophenyl)propylsulfonylmethyl]oxolane?
The canonical SMILES for (2R)-2-[3-(2-bromophenyl)propylsulfonylmethyl]oxolane is O=S(=O)(CCCc1ccccc1Br)C[C@H]1CCCO1.
What is the InChIKey of (2R)-2-[3-(2-bromophenyl)propylsulfonylmethyl]oxolane?
The InChIKey is VAUDOOHKZPMNEI-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19BrO3S/c15-14-8-2-1-5-12(14)6-4-10-19(16,17)11-13-7-3-9-18-13/h1-2,5,8,13H,3-4,6-7,9-11H2/t13-/m1/s1.
What are the key properties of (2R)-2-[3-(2-bromophenyl)propylsulfonylmethyl]oxolane?
(2R)-2-[3-(2-bromophenyl)propylsulfonylmethyl]oxolane has a molecular weight of 347.27 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(2-bromophenyl)propylsulfonylmethyl]oxolane is sourced from PubChem (CID 99820888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).