(2R)-2-[(2,5-dibromophenyl)sulfonylamino]-4-methylpentanoic acid

C12H15Br2NO4S — CID 28828956

IUPAC(2R)-2-[(2,5-dibromophenyl)sulfonylamino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NS(=O)(=O)c1cc(Br)ccc1Br)C(=O)O
InChIInChI=1S/C12H15Br2NO4S/c1-7(2)5-10(12(16)17)15-20(18,19)11-6-8(13)3-4-9(11)14/h3-4,6-7,10,15H,5H2,1-2H3,(H,16,17)/t10-/m1/s1
InChIKeyAPUZZAPFBWJBBN-SNVBAGLBSA-N
MW429.13 g/mol
LogP2.99
Rot. Bonds6

About (2R)-2-[(2,5-dibromophenyl)sulfonylamino]-4-methylpentanoic acid

(2R)-2-[(2,5-dibromophenyl)sulfonylamino]-4-methylpentanoic acid (PubChem CID 28828956) has the molecular formula C12H15Br2NO4S and a molecular weight of 429.13 g/mol. Its IUPAC name is (2R)-2-[(2,5-dibromophenyl)sulfonylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2,5-dibromophenyl)sulfonylamino]-4-methylpentanoic acid
PubChem CID28828956
Molecular FormulaC12H15Br2NO4S
Molecular Weight429.13 g/mol
Exact Mass426.91
IUPAC Name(2R)-2-[(2,5-dibromophenyl)sulfonylamino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NS(=O)(=O)c1cc(Br)ccc1Br)C(=O)O
InChIInChI=1S/C12H15Br2NO4S/c1-7(2)5-10(12(16)17)15-20(18,19)11-6-8(13)3-4-9(11)14/h3-4,6-7,10,15H,5H2,1-2H3,(H,16,17)/t10-/m1/s1
InChIKeyAPUZZAPFBWJBBN-SNVBAGLBSA-N
XLogP2.99
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.13
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(2,5-dibromophenyl)sulfonylamino]-4-methylpentanoate
CID 24867958
(2R)-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 28828960
(2R)-2-[(2,5-dibromophenyl)sulfonylamino]butanedioic acid
CID 42080975
2-[(2,5-dibromophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244954
(2R)-2-[(2,5-dibromophenyl)sulfonylamino]propanoic acid
CID 54991538
(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-methylpentan-2-yl)benzenesulfonamide
CID 61246459
2-[[2-[(1-carboxy-3-methylbutyl)sulfamoyl]phenyl]sulfonylamino]-4-methylpentanoic acid
CID 24761708
(2S)-2-[(4-bromo-3-methylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 61156389
(2S)-2-[(2,5-dibromophenyl)sulfonylamino]-3-methylpentanoic acid
CID 61173478
2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-4-methylpentanoic acid
CID 18914695

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,5-dibromophenyl)sulfonylamino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[(2,5-dibromophenyl)sulfonylamino]-4-methylpentanoic acid (CID 28828956) is (2R)-2-[(2,5-dibromophenyl)sulfonylamino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[(2,5-dibromophenyl)sulfonylamino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[(2,5-dibromophenyl)sulfonylamino]-4-methylpentanoic acid is CC(C)C[C@@H](NS(=O)(=O)c1cc(Br)ccc1Br)C(=O)O.
What is the InChIKey of (2R)-2-[(2,5-dibromophenyl)sulfonylamino]-4-methylpentanoic acid?
The InChIKey is APUZZAPFBWJBBN-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15Br2NO4S/c1-7(2)5-10(12(16)17)15-20(18,19)11-6-8(13)3-4-9(11)14/h3-4,6-7,10,15H,5H2,1-2H3,(H,16,17)/t10-/m1/s1.
What are the key properties of (2R)-2-[(2,5-dibromophenyl)sulfonylamino]-4-methylpentanoic acid?
(2R)-2-[(2,5-dibromophenyl)sulfonylamino]-4-methylpentanoic acid has a molecular weight of 429.13 g/mol, XLogP of 2.99, 6 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]-4-methylpentanoic acid is sourced from PubChem (CID 28828956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).