(1R,2S)-1,2-dibromo-2-phenylethanesulfonamide

C8H9Br2NO2S — CID 134937081

IUPAC(1R,2S)-1,2-dibromo-2-phenylethanesulfonamide
SMILESNS(=O)(=O)[C@H](Br)[C@@H](Br)c1ccccc1
InChIInChI=1S/C8H9Br2NO2S/c9-7(8(10)14(11,12)13)6-4-2-1-3-5-6/h1-5,7-8H,(H2,11,12,13)/t7-,8-/m0/s1
InChIKeyXLGXRTHORKXRRA-YUMQZZPRSA-N
MW343.04 g/mol
LogP2.13
Rot. Bonds3

About (1R,2S)-1,2-dibromo-2-phenylethanesulfonamide

(1R,2S)-1,2-dibromo-2-phenylethanesulfonamide (PubChem CID 134937081) has the molecular formula C8H9Br2NO2S and a molecular weight of 343.04 g/mol. Its IUPAC name is (1R,2S)-1,2-dibromo-2-phenylethanesulfonamide.

Molecular Properties

Compound Name(1R,2S)-1,2-dibromo-2-phenylethanesulfonamide
PubChem CID134937081
Molecular FormulaC8H9Br2NO2S
Molecular Weight343.04 g/mol
Exact Mass340.87
IUPAC Name(1R,2S)-1,2-dibromo-2-phenylethanesulfonamide
SMILESNS(=O)(=O)[C@H](Br)[C@@H](Br)c1ccccc1
InChIInChI=1S/C8H9Br2NO2S/c9-7(8(10)14(11,12)13)6-4-2-1-3-5-6/h1-5,7-8H,(H2,11,12,13)/t7-,8-/m0/s1
InChIKeyXLGXRTHORKXRRA-YUMQZZPRSA-N
XLogP2.13
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.04
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze (1R,2S)-1,2-dibromo-2-phenylethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R,2R)-1,2-dibromo-2-phenylethyl]benzene
CID 3010073
[(1S,2S)-1,2-dibromo-2-phenylethyl]benzene
CID 10969851
2,2-diphenylethanesulfonamide
CID 68954742
1-bromo-1-phenylpropan-2-amine
CID 12709385
(2S)-2-phenyl-2-sulfamoylacetic acid
CID 124582466
(2R)-2-phenyl-2-sulfamoylacetamide
CID 124507731
(1S)-1,2-diphenylethanesulfonamide
CID 15655609
methyl (2R,3R)-2,3-dibromo-3-phenylpropanoate
CID 6994239
2-oxo-1-phenylpropane-1-sulfonamide
CID 70874810
[(1S,2R)-1-bromo-2-chloro-2-phenylethyl]benzene
CID 101135261
(2R,3S)-2-amino-3-bromo-3-phenylpropan-1-ol
CID 10988050
bromo(phenyl)methanamine;hydroiodide
CID 175393432

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1,2-dibromo-2-phenylethanesulfonamide?
The IUPAC name of (1R,2S)-1,2-dibromo-2-phenylethanesulfonamide (CID 134937081) is (1R,2S)-1,2-dibromo-2-phenylethanesulfonamide.
What is the SMILES notation for (1R,2S)-1,2-dibromo-2-phenylethanesulfonamide?
The canonical SMILES for (1R,2S)-1,2-dibromo-2-phenylethanesulfonamide is NS(=O)(=O)[C@H](Br)[C@@H](Br)c1ccccc1.
What is the InChIKey of (1R,2S)-1,2-dibromo-2-phenylethanesulfonamide?
The InChIKey is XLGXRTHORKXRRA-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H9Br2NO2S/c9-7(8(10)14(11,12)13)6-4-2-1-3-5-6/h1-5,7-8H,(H2,11,12,13)/t7-,8-/m0/s1.
What are the key properties of (1R,2S)-1,2-dibromo-2-phenylethanesulfonamide?
(1R,2S)-1,2-dibromo-2-phenylethanesulfonamide has a molecular weight of 343.04 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1,2-dibromo-2-phenylethanesulfonamide is sourced from PubChem (CID 134937081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).