(2R)-2-[(2,5-dibromophenyl)sulfonylamino]propanoic acid

C9H9Br2NO4S — CID 54991538

IUPAC(2R)-2-[(2,5-dibromophenyl)sulfonylamino]propanoic acid
SMILESC[C@@H](NS(=O)(=O)c1cc(Br)ccc1Br)C(=O)O
InChIInChI=1S/C9H9Br2NO4S/c1-5(9(13)14)12-17(15,16)8-4-6(10)2-3-7(8)11/h2-5,12H,1H3,(H,13,14)/t5-/m1/s1
InChIKeyMDVPOPWCUWYVNK-RXMQYKEDSA-N
MW387.05 g/mol
LogP1.96
Rot. Bonds4

About (2R)-2-[(2,5-dibromophenyl)sulfonylamino]propanoic acid

(2R)-2-[(2,5-dibromophenyl)sulfonylamino]propanoic acid (PubChem CID 54991538) has the molecular formula C9H9Br2NO4S and a molecular weight of 387.05 g/mol. Its IUPAC name is (2R)-2-[(2,5-dibromophenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2,5-dibromophenyl)sulfonylamino]propanoic acid
PubChem CID54991538
Molecular FormulaC9H9Br2NO4S
Molecular Weight387.05 g/mol
Exact Mass384.86
IUPAC Name(2R)-2-[(2,5-dibromophenyl)sulfonylamino]propanoic acid
SMILESC[C@@H](NS(=O)(=O)c1cc(Br)ccc1Br)C(=O)O
InChIInChI=1S/C9H9Br2NO4S/c1-5(9(13)14)12-17(15,16)8-4-6(10)2-3-7(8)11/h2-5,12H,1H3,(H,13,14)/t5-/m1/s1
InChIKeyMDVPOPWCUWYVNK-RXMQYKEDSA-N
XLogP1.96
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.05
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(5-bromo-2-methylphenyl)sulfonylamino]propanoic acid
CID 54991350
(2R)-2-[(2,5-dibromophenyl)sulfonylamino]-4-methylpentanoic acid
CID 28828956
(2S)-2-[(2,5-dibromophenyl)sulfonylamino]-3-methylpentanoic acid
CID 61173478
2-[(2,5-dibromophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244954
(2R)-2-[(2,5-dibromophenyl)sulfonylamino]butanedioic acid
CID 42080975
2,5-dibromo-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
CID 61246459
2,5-dibromo-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 51697632
(2S)-2-[(2,5-dibromophenyl)sulfonylamino]pentanedioic acid
CID 61144002
5-amino-2-[(2,5-dibromophenyl)sulfonylamino]-5-oxopentanoic acid
CID 43084254
2,5-dibromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 103833752
methyl 2-[(2,5-dibromophenyl)sulfonylamino]-4-methylpentanoate
CID 24867958
2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide
CID 82950147

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,5-dibromophenyl)sulfonylamino]propanoic acid?
The IUPAC name of (2R)-2-[(2,5-dibromophenyl)sulfonylamino]propanoic acid (CID 54991538) is (2R)-2-[(2,5-dibromophenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[(2,5-dibromophenyl)sulfonylamino]propanoic acid?
The canonical SMILES for (2R)-2-[(2,5-dibromophenyl)sulfonylamino]propanoic acid is C[C@@H](NS(=O)(=O)c1cc(Br)ccc1Br)C(=O)O.
What is the InChIKey of (2R)-2-[(2,5-dibromophenyl)sulfonylamino]propanoic acid?
The InChIKey is MDVPOPWCUWYVNK-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H9Br2NO4S/c1-5(9(13)14)12-17(15,16)8-4-6(10)2-3-7(8)11/h2-5,12H,1H3,(H,13,14)/t5-/m1/s1.
What are the key properties of (2R)-2-[(2,5-dibromophenyl)sulfonylamino]propanoic acid?
(2R)-2-[(2,5-dibromophenyl)sulfonylamino]propanoic acid has a molecular weight of 387.05 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,5-dibromophenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 54991538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).