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

C10H11Br2NO5S — CID 61244954

IUPAC2-[(2,5-dibromophenyl)sulfonylamino]-4-hydroxybutanoic acid
SMILESO=C(O)C(CCO)NS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C10H11Br2NO5S/c11-6-1-2-7(12)9(5-6)19(17,18)13-8(3-4-14)10(15)16/h1-2,5,8,13-14H,3-4H2,(H,15,16)
InChIKeyCIFFJFVVFSYELO-UHFFFAOYSA-N
MW417.08 g/mol
LogP1.33
Rot. Bonds6

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

2-[(2,5-dibromophenyl)sulfonylamino]-4-hydroxybutanoic acid (PubChem CID 61244954) has the molecular formula C10H11Br2NO5S and a molecular weight of 417.08 g/mol. Its IUPAC name is 2-[(2,5-dibromophenyl)sulfonylamino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(2,5-dibromophenyl)sulfonylamino]-4-hydroxybutanoic acid
PubChem CID61244954
Molecular FormulaC10H11Br2NO5S
Molecular Weight417.08 g/mol
Exact Mass414.87
IUPAC Name2-[(2,5-dibromophenyl)sulfonylamino]-4-hydroxybutanoic acid
SMILESO=C(O)C(CCO)NS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C10H11Br2NO5S/c11-6-1-2-7(12)9(5-6)19(17,18)13-8(3-4-14)10(15)16/h1-2,5,8,13-14H,3-4H2,(H,15,16)
InChIKeyCIFFJFVVFSYELO-UHFFFAOYSA-N
XLogP1.33
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.08
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2,5-dibromophenyl)sulfonylamino]pentanedioic acid
CID 61144002
5-amino-2-[(2,5-dibromophenyl)sulfonylamino]-5-oxopentanoic acid
CID 43084254
(2R)-2-[(2,5-dibromophenyl)sulfonylamino]butanedioic acid
CID 42080975
(2S)-2-[(2-bromophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104935022
(2R)-2-[(2,5-dibromophenyl)sulfonylamino]-4-methylpentanoic acid
CID 28828956
(2R)-2-[(2,5-dibromophenyl)sulfonylamino]propanoic acid
CID 54991538
2-[(2-bromo-4-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244418
2,5-dibromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 103833752
(2S)-2-[(5-bromo-2-methylphenyl)sulfonylamino]hexanoic acid
CID 104934720
2-[(2,5-dichlorophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244796
(2S)-2-[(2-chloro-4-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104935068
(2S)-2-[(2,5-dibromophenyl)sulfonylamino]-3-methylpentanoic acid
CID 61173478

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dibromophenyl)sulfonylamino]-4-hydroxybutanoic acid?
The IUPAC name of 2-[(2,5-dibromophenyl)sulfonylamino]-4-hydroxybutanoic acid (CID 61244954) is 2-[(2,5-dibromophenyl)sulfonylamino]-4-hydroxybutanoic acid.
What is the SMILES notation for 2-[(2,5-dibromophenyl)sulfonylamino]-4-hydroxybutanoic acid?
The canonical SMILES for 2-[(2,5-dibromophenyl)sulfonylamino]-4-hydroxybutanoic acid is O=C(O)C(CCO)NS(=O)(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2-[(2,5-dibromophenyl)sulfonylamino]-4-hydroxybutanoic acid?
The InChIKey is CIFFJFVVFSYELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2NO5S/c11-6-1-2-7(12)9(5-6)19(17,18)13-8(3-4-14)10(15)16/h1-2,5,8,13-14H,3-4H2,(H,15,16).
What are the key properties of 2-[(2,5-dibromophenyl)sulfonylamino]-4-hydroxybutanoic acid?
2-[(2,5-dibromophenyl)sulfonylamino]-4-hydroxybutanoic acid has a molecular weight of 417.08 g/mol, XLogP of 1.33, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dibromophenyl)sulfonylamino]-4-hydroxybutanoic acid is sourced from PubChem (CID 61244954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).