methyl 2-[(3-bromo-4-methoxyphenyl)sulfonylamino]propanoate

C11H14BrNO5S — CID 55029414

IUPACmethyl 2-[(3-bromo-4-methoxyphenyl)sulfonylamino]propanoate
SMILESCOC(=O)C(C)NS(=O)(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C11H14BrNO5S/c1-7(11(14)18-3)13-19(15,16)8-4-5-10(17-2)9(12)6-8/h4-7,13H,1-3H3
InChIKeyQUMXHMHKZFCCSF-UHFFFAOYSA-N
MW352.21 g/mol
LogP1.30
Rot. Bonds5

About methyl 2-[(3-bromo-4-methoxyphenyl)sulfonylamino]propanoate

methyl 2-[(3-bromo-4-methoxyphenyl)sulfonylamino]propanoate (PubChem CID 55029414) has the molecular formula C11H14BrNO5S and a molecular weight of 352.21 g/mol. Its IUPAC name is methyl 2-[(3-bromo-4-methoxyphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(3-bromo-4-methoxyphenyl)sulfonylamino]propanoate
PubChem CID55029414
Molecular FormulaC11H14BrNO5S
Molecular Weight352.21 g/mol
Exact Mass350.98
IUPAC Namemethyl 2-[(3-bromo-4-methoxyphenyl)sulfonylamino]propanoate
SMILESCOC(=O)C(C)NS(=O)(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C11H14BrNO5S/c1-7(11(14)18-3)13-19(15,16)8-4-5-10(17-2)9(12)6-8/h4-7,13H,1-3H3
InChIKeyQUMXHMHKZFCCSF-UHFFFAOYSA-N
XLogP1.30
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(3-bromo-4-methoxyphenyl)sulfonylamino]propanoate 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-methoxy-5-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoic acid
CID 60780474
methyl 2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanoate
CID 54937802
2-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N-ethyl-N-methylpropanamide
CID 103113314
(2R)-N-cyclopropyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 7369499
methyl 2-[(3-amino-4-hydroxyphenyl)sulfonylamino]propanoate
CID 54959326
methyl (2S)-2-[(3-bromo-4-methoxybenzoyl)amino]propanoate
CID 47337375
methyl 2-[(3-methoxyphenyl)sulfonylamino]propanoate
CID 81260226
3-bromo-4-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 133165455
N-(2-aminopropyl)-3-bromo-4-methoxybenzenesulfonamide
CID 63733775
methyl 2-[[4-(bromomethyl)phenyl]sulfonylamino]propanoate
CID 65480230
methyl (2S)-2-(benzenesulfonamido)propanoate
CID 10857687
methyl (2R)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)propanoate
CID 113257635

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-bromo-4-methoxyphenyl)sulfonylamino]propanoate?
The IUPAC name of methyl 2-[(3-bromo-4-methoxyphenyl)sulfonylamino]propanoate (CID 55029414) is methyl 2-[(3-bromo-4-methoxyphenyl)sulfonylamino]propanoate.
What is the SMILES notation for methyl 2-[(3-bromo-4-methoxyphenyl)sulfonylamino]propanoate?
The canonical SMILES for methyl 2-[(3-bromo-4-methoxyphenyl)sulfonylamino]propanoate is COC(=O)C(C)NS(=O)(=O)c1ccc(OC)c(Br)c1.
What is the InChIKey of methyl 2-[(3-bromo-4-methoxyphenyl)sulfonylamino]propanoate?
The InChIKey is QUMXHMHKZFCCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO5S/c1-7(11(14)18-3)13-19(15,16)8-4-5-10(17-2)9(12)6-8/h4-7,13H,1-3H3.
What are the key properties of methyl 2-[(3-bromo-4-methoxyphenyl)sulfonylamino]propanoate?
methyl 2-[(3-bromo-4-methoxyphenyl)sulfonylamino]propanoate has a molecular weight of 352.21 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-bromo-4-methoxyphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 55029414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).