(2S)-2-[(2-bromophenyl)sulfonylamino]-4-hydroxybutanoic acid

C10H12BrNO5S — CID 104935022

IUPAC(2S)-2-[(2-bromophenyl)sulfonylamino]-4-hydroxybutanoic acid
SMILESO=C(O)[C@H](CCO)NS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C10H12BrNO5S/c11-7-3-1-2-4-9(7)18(16,17)12-8(5-6-13)10(14)15/h1-4,8,12-13H,5-6H2,(H,14,15)/t8-/m0/s1
InChIKeyOANHXRSUTQDKLD-QMMMGPOBSA-N
MW338.18 g/mol
LogP0.56
Rot. Bonds6

About (2S)-2-[(2-bromophenyl)sulfonylamino]-4-hydroxybutanoic acid

(2S)-2-[(2-bromophenyl)sulfonylamino]-4-hydroxybutanoic acid (PubChem CID 104935022) has the molecular formula C10H12BrNO5S and a molecular weight of 338.18 g/mol. Its IUPAC name is (2S)-2-[(2-bromophenyl)sulfonylamino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-bromophenyl)sulfonylamino]-4-hydroxybutanoic acid
PubChem CID104935022
Molecular FormulaC10H12BrNO5S
Molecular Weight338.18 g/mol
Exact Mass336.96
IUPAC Name(2S)-2-[(2-bromophenyl)sulfonylamino]-4-hydroxybutanoic acid
SMILESO=C(O)[C@H](CCO)NS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C10H12BrNO5S/c11-7-3-1-2-4-9(7)18(16,17)12-8(5-6-13)10(14)15/h1-4,8,12-13H,5-6H2,(H,14,15)/t8-/m0/s1
InChIKeyOANHXRSUTQDKLD-QMMMGPOBSA-N
XLogP0.56
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,5-dibromophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244954
2-[(2-bromo-4-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244418
(2R)-4-hydroxy-2-[(2-methoxycarbonylphenyl)sulfonylamino]butanoic acid
CID 104933807
(2R)-2-[(2-bromophenyl)sulfonylamino]-2-phenylacetic acid
CID 28881338
2-[(2-bromophenyl)sulfonylamino]-2-phenylacetic acid
CID 43089617
2-[(5-bromothiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244964
(2R)-2-[(2-chlorophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 28831674
2-[(2,5-dichlorophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244796
(2S)-4-hydroxy-2-(quinolin-5-ylsulfonylamino)butanoic acid
CID 104934981
(2R)-4-hydroxy-2-(quinolin-5-ylsulfonylamino)butanoic acid
CID 104933783
(2S)-2-[(3-fluoro-2-nitrophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104935102
(2S)-2-[(2,6-difluorophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104935044

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-bromophenyl)sulfonylamino]-4-hydroxybutanoic acid?
The IUPAC name of (2S)-2-[(2-bromophenyl)sulfonylamino]-4-hydroxybutanoic acid (CID 104935022) is (2S)-2-[(2-bromophenyl)sulfonylamino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2S)-2-[(2-bromophenyl)sulfonylamino]-4-hydroxybutanoic acid?
The canonical SMILES for (2S)-2-[(2-bromophenyl)sulfonylamino]-4-hydroxybutanoic acid is O=C(O)[C@H](CCO)NS(=O)(=O)c1ccccc1Br.
What is the InChIKey of (2S)-2-[(2-bromophenyl)sulfonylamino]-4-hydroxybutanoic acid?
The InChIKey is OANHXRSUTQDKLD-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12BrNO5S/c11-7-3-1-2-4-9(7)18(16,17)12-8(5-6-13)10(14)15/h1-4,8,12-13H,5-6H2,(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-[(2-bromophenyl)sulfonylamino]-4-hydroxybutanoic acid?
(2S)-2-[(2-bromophenyl)sulfonylamino]-4-hydroxybutanoic acid has a molecular weight of 338.18 g/mol, XLogP of 0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-bromophenyl)sulfonylamino]-4-hydroxybutanoic acid is sourced from PubChem (CID 104935022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).