5-amino-2-[(2,5-dibromophenyl)sulfonylamino]-5-oxopentanoic acid

C11H12Br2N2O5S — CID 43084254

IUPAC5-amino-2-[(2,5-dibromophenyl)sulfonylamino]-5-oxopentanoic acid
SMILESNC(=O)CCC(NS(=O)(=O)c1cc(Br)ccc1Br)C(=O)O
InChIInChI=1S/C11H12Br2N2O5S/c12-6-1-2-7(13)9(5-6)21(19,20)15-8(11(17)18)3-4-10(14)16/h1-2,5,8,15H,3-4H2,(H2,14,16)(H,17,18)
InChIKeyKGNFVUXVFYIVQH-UHFFFAOYSA-N
MW444.10 g/mol
LogP1.21
Rot. Bonds7

About 5-amino-2-[(2,5-dibromophenyl)sulfonylamino]-5-oxopentanoic acid

5-amino-2-[(2,5-dibromophenyl)sulfonylamino]-5-oxopentanoic acid (PubChem CID 43084254) has the molecular formula C11H12Br2N2O5S and a molecular weight of 444.10 g/mol. Its IUPAC name is 5-amino-2-[(2,5-dibromophenyl)sulfonylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[(2,5-dibromophenyl)sulfonylamino]-5-oxopentanoic acid
PubChem CID43084254
Molecular FormulaC11H12Br2N2O5S
Molecular Weight444.10 g/mol
Exact Mass441.88
IUPAC Name5-amino-2-[(2,5-dibromophenyl)sulfonylamino]-5-oxopentanoic acid
SMILESNC(=O)CCC(NS(=O)(=O)c1cc(Br)ccc1Br)C(=O)O
InChIInChI=1S/C11H12Br2N2O5S/c12-6-1-2-7(13)9(5-6)21(19,20)15-8(11(17)18)3-4-10(14)16/h1-2,5,8,15H,3-4H2,(H2,14,16)(H,17,18)
InChIKeyKGNFVUXVFYIVQH-UHFFFAOYSA-N
XLogP1.21
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.10
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2,5-dibromophenyl)sulfonylamino]pentanedioic acid
CID 61144002
2-[(2,5-dibromophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244954
(2R)-5-amino-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 28829198
(2R)-2-[(2,5-dibromophenyl)sulfonylamino]butanedioic acid
CID 42080975
(2R)-2-[(2,5-dibromophenyl)sulfonylamino]-4-methylpentanoic acid
CID 28828956
(2S)-5-amino-2-[(4-bromo-3-fluorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 104934647
(2S)-5-amino-2-[(4-bromo-3-methylphenyl)sulfonylamino]-5-oxopentanoic acid
CID 61141460
(2S)-5-amino-2-[(2,5-difluorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 61141194
(2S)-5-amino-2-[(2-chloro-4-methylphenyl)sulfonylamino]-5-oxopentanoic acid
CID 61141634
(2R)-2-[(2,5-dibromophenyl)sulfonylamino]propanoic acid
CID 54991538
(2R)-5-amino-2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-oxopentanoic acid
CID 104935522
5-amino-2-[(3-bromothiophen-2-yl)sulfonylamino]-5-oxopentanoic acid
CID 61063305

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2,5-dibromophenyl)sulfonylamino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[(2,5-dibromophenyl)sulfonylamino]-5-oxopentanoic acid (CID 43084254) is 5-amino-2-[(2,5-dibromophenyl)sulfonylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[(2,5-dibromophenyl)sulfonylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[(2,5-dibromophenyl)sulfonylamino]-5-oxopentanoic acid is NC(=O)CCC(NS(=O)(=O)c1cc(Br)ccc1Br)C(=O)O.
What is the InChIKey of 5-amino-2-[(2,5-dibromophenyl)sulfonylamino]-5-oxopentanoic acid?
The InChIKey is KGNFVUXVFYIVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2N2O5S/c12-6-1-2-7(13)9(5-6)21(19,20)15-8(11(17)18)3-4-10(14)16/h1-2,5,8,15H,3-4H2,(H2,14,16)(H,17,18).
What are the key properties of 5-amino-2-[(2,5-dibromophenyl)sulfonylamino]-5-oxopentanoic acid?
5-amino-2-[(2,5-dibromophenyl)sulfonylamino]-5-oxopentanoic acid has a molecular weight of 444.10 g/mol, XLogP of 1.21, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2,5-dibromophenyl)sulfonylamino]-5-oxopentanoic acid is sourced from PubChem (CID 43084254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).