(R)-2-(3-bromophenyl)ethanesulfinamide

C8H10BrNOS — CID 115046249

IUPAC(R)-2-(3-bromophenyl)ethanesulfinamide
SMILESN[S@](=O)CCc1cccc(Br)c1
InChIInChI=1S/C8H10BrNOS/c9-8-3-1-2-7(6-8)4-5-12(10)11/h1-3,6H,4-5,10H2/t12-/m1/s1
InChIKeyYEGNGPYZSPEINJ-GFCCVEGCSA-N
MW248.14 g/mol
LogP1.61
Rot. Bonds3

About (R)-2-(3-bromophenyl)ethanesulfinamide

(R)-2-(3-bromophenyl)ethanesulfinamide (PubChem CID 115046249) has the molecular formula C8H10BrNOS and a molecular weight of 248.14 g/mol. Its IUPAC name is (R)-2-(3-bromophenyl)ethanesulfinamide.

Molecular Properties

Compound Name(R)-2-(3-bromophenyl)ethanesulfinamide
PubChem CID115046249
Molecular FormulaC8H10BrNOS
Molecular Weight248.14 g/mol
Exact Mass246.97
IUPAC Name(R)-2-(3-bromophenyl)ethanesulfinamide
SMILESN[S@](=O)CCc1cccc(Br)c1
InChIInChI=1S/C8H10BrNOS/c9-8-3-1-2-7(6-8)4-5-12(10)11/h1-3,6H,4-5,10H2/t12-/m1/s1
InChIKeyYEGNGPYZSPEINJ-GFCCVEGCSA-N
XLogP1.61
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.14
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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[1-[2-(3-bromophenyl)ethyl]cyclopropyl]methanamine
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CID 93264333
3-(3-bromophenyl)propanoyl chloride
CID 12607235
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Frequently Asked Questions

What is the IUPAC name of (R)-2-(3-bromophenyl)ethanesulfinamide?
The IUPAC name of (R)-2-(3-bromophenyl)ethanesulfinamide (CID 115046249) is (R)-2-(3-bromophenyl)ethanesulfinamide.
What is the SMILES notation for (R)-2-(3-bromophenyl)ethanesulfinamide?
The canonical SMILES for (R)-2-(3-bromophenyl)ethanesulfinamide is N[S@](=O)CCc1cccc(Br)c1.
What is the InChIKey of (R)-2-(3-bromophenyl)ethanesulfinamide?
The InChIKey is YEGNGPYZSPEINJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C8H10BrNOS/c9-8-3-1-2-7(6-8)4-5-12(10)11/h1-3,6H,4-5,10H2/t12-/m1/s1.
What are the key properties of (R)-2-(3-bromophenyl)ethanesulfinamide?
(R)-2-(3-bromophenyl)ethanesulfinamide has a molecular weight of 248.14 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-(3-bromophenyl)ethanesulfinamide is sourced from PubChem (CID 115046249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).