1-[[(R)-(4-bromophenyl)sulfinyl]methyl]-3-chlorobenzene

C13H10BrClOS — CID 139247700

IUPAC1-[[(R)-(4-bromophenyl)sulfinyl]methyl]-3-chlorobenzene
SMILESO=[S@](Cc1cccc(Cl)c1)c1ccc(Br)cc1
InChIInChI=1S/C13H10BrClOS/c14-11-4-6-13(7-5-11)17(16)9-10-2-1-3-12(15)8-10/h1-8H,9H2/t17-/m1/s1
InChIKeyXTEGWRODYIVOEG-QGZVFWFLSA-N
MW329.65 g/mol
LogP4.41
Rot. Bonds3

About 1-[[(R)-(4-bromophenyl)sulfinyl]methyl]-3-chlorobenzene

1-[[(R)-(4-bromophenyl)sulfinyl]methyl]-3-chlorobenzene (PubChem CID 139247700) has the molecular formula C13H10BrClOS and a molecular weight of 329.65 g/mol. Its IUPAC name is 1-[[(R)-(4-bromophenyl)sulfinyl]methyl]-3-chlorobenzene.

Molecular Properties

Compound Name1-[[(R)-(4-bromophenyl)sulfinyl]methyl]-3-chlorobenzene
PubChem CID139247700
Molecular FormulaC13H10BrClOS
Molecular Weight329.65 g/mol
Exact Mass327.93
IUPAC Name1-[[(R)-(4-bromophenyl)sulfinyl]methyl]-3-chlorobenzene
SMILESO=[S@](Cc1cccc(Cl)c1)c1ccc(Br)cc1
InChIInChI=1S/C13H10BrClOS/c14-11-4-6-13(7-5-11)17(16)9-10-2-1-3-12(15)8-10/h1-8H,9H2/t17-/m1/s1
InChIKeyXTEGWRODYIVOEG-QGZVFWFLSA-N
XLogP4.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.65
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[[(R)-(4-bromophenyl)sulfinyl]methyl]-3-chlorobenzene?
The IUPAC name of 1-[[(R)-(4-bromophenyl)sulfinyl]methyl]-3-chlorobenzene (CID 139247700) is 1-[[(R)-(4-bromophenyl)sulfinyl]methyl]-3-chlorobenzene.
What is the SMILES notation for 1-[[(R)-(4-bromophenyl)sulfinyl]methyl]-3-chlorobenzene?
The canonical SMILES for 1-[[(R)-(4-bromophenyl)sulfinyl]methyl]-3-chlorobenzene is O=[S@](Cc1cccc(Cl)c1)c1ccc(Br)cc1.
What is the InChIKey of 1-[[(R)-(4-bromophenyl)sulfinyl]methyl]-3-chlorobenzene?
The InChIKey is XTEGWRODYIVOEG-QGZVFWFLSA-N. The full InChI is InChI=1S/C13H10BrClOS/c14-11-4-6-13(7-5-11)17(16)9-10-2-1-3-12(15)8-10/h1-8H,9H2/t17-/m1/s1.
What are the key properties of 1-[[(R)-(4-bromophenyl)sulfinyl]methyl]-3-chlorobenzene?
1-[[(R)-(4-bromophenyl)sulfinyl]methyl]-3-chlorobenzene has a molecular weight of 329.65 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(R)-(4-bromophenyl)sulfinyl]methyl]-3-chlorobenzene is sourced from PubChem (CID 139247700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).