(2S)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]hexanoic acid

C13H18BrNO5S — CID 104934669

IUPAC(2S)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]hexanoic acid
SMILESCCCC[C@H](NS(=O)(=O)c1cc(Br)ccc1OC)C(=O)O
InChIInChI=1S/C13H18BrNO5S/c1-3-4-5-10(13(16)17)15-21(18,19)12-8-9(14)6-7-11(12)20-2/h6-8,10,15H,3-5H2,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeyBEAXAVRNMVOOMF-JTQLQIEISA-N
MW380.26 g/mol
LogP2.38
Rot. Bonds8

About (2S)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]hexanoic acid

(2S)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]hexanoic acid (PubChem CID 104934669) has the molecular formula C13H18BrNO5S and a molecular weight of 380.26 g/mol. Its IUPAC name is (2S)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]hexanoic acid
PubChem CID104934669
Molecular FormulaC13H18BrNO5S
Molecular Weight380.26 g/mol
Exact Mass379.01
IUPAC Name(2S)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]hexanoic acid
SMILESCCCC[C@H](NS(=O)(=O)c1cc(Br)ccc1OC)C(=O)O
InChIInChI=1S/C13H18BrNO5S/c1-3-4-5-10(13(16)17)15-21(18,19)12-8-9(14)6-7-11(12)20-2/h6-8,10,15H,3-5H2,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeyBEAXAVRNMVOOMF-JTQLQIEISA-N
XLogP2.38
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.26
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-bromo-2-methoxyphenyl)sulfonylamino]pentanoic acid
CID 43631274
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]butanedioic acid
CID 78907344
(2S)-2-[(5-bromo-2-methylphenyl)sulfonylamino]hexanoic acid
CID 104934720
ethyl 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 5018434
5-bromo-2-methoxy-N-[(2S)-pentan-2-yl]benzenesulfonamide
CID 92510421
2-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]pentanoic acid
CID 120820494
2-[(2,5-dimethoxyphenyl)sulfonylamino]-4-ethylsulfonylbutanoic acid
CID 108781283
(2R)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 9115177
5-bromo-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide
CID 113318211
2-[(2,5-dimethoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244972
(2S)-5-amino-2-[(2,5-dimethoxyphenyl)sulfonylamino]-5-oxopentanoic acid
CID 9403870
2-[[5-chloro-2-(difluoromethoxy)phenyl]sulfonylamino]hexanoic acid
CID 122101400

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]hexanoic acid?
The IUPAC name of (2S)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]hexanoic acid (CID 104934669) is (2S)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]hexanoic acid.
What is the SMILES notation for (2S)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]hexanoic acid?
The canonical SMILES for (2S)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]hexanoic acid is CCCC[C@H](NS(=O)(=O)c1cc(Br)ccc1OC)C(=O)O.
What is the InChIKey of (2S)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]hexanoic acid?
The InChIKey is BEAXAVRNMVOOMF-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18BrNO5S/c1-3-4-5-10(13(16)17)15-21(18,19)12-8-9(14)6-7-11(12)20-2/h6-8,10,15H,3-5H2,1-2H3,(H,16,17)/t10-/m0/s1.
What are the key properties of (2S)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]hexanoic acid?
(2S)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]hexanoic acid has a molecular weight of 380.26 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]hexanoic acid is sourced from PubChem (CID 104934669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).