methyl 3-[(5-amino-2-fluorophenyl)sulfonylamino]propanoate

C10H13FN2O4S — CID 43665947

IUPACmethyl 3-[(5-amino-2-fluorophenyl)sulfonylamino]propanoate
SMILESCOC(=O)CCNS(=O)(=O)c1cc(N)ccc1F
InChIInChI=1S/C10H13FN2O4S/c1-17-10(14)4-5-13-18(15,16)9-6-7(12)2-3-8(9)11/h2-3,6,13H,4-5,12H2,1H3
InChIKeyQYMVYTRVINALDJ-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.25
Rot. Bonds5

About methyl 3-[(5-amino-2-fluorophenyl)sulfonylamino]propanoate

methyl 3-[(5-amino-2-fluorophenyl)sulfonylamino]propanoate (PubChem CID 43665947) has the molecular formula C10H13FN2O4S and a molecular weight of 276.29 g/mol. Its IUPAC name is methyl 3-[(5-amino-2-fluorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(5-amino-2-fluorophenyl)sulfonylamino]propanoate
PubChem CID43665947
Molecular FormulaC10H13FN2O4S
Molecular Weight276.29 g/mol
Exact Mass276.06
IUPAC Namemethyl 3-[(5-amino-2-fluorophenyl)sulfonylamino]propanoate
SMILESCOC(=O)CCNS(=O)(=O)c1cc(N)ccc1F
InChIInChI=1S/C10H13FN2O4S/c1-17-10(14)4-5-13-18(15,16)9-6-7(12)2-3-8(9)11/h2-3,6,13H,4-5,12H2,1H3
InChIKeyQYMVYTRVINALDJ-UHFFFAOYSA-N
XLogP0.25
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze methyl 3-[(5-amino-2-fluorophenyl)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

methyl 3-[(5-amino-2-methoxyphenyl)sulfonylamino]propanoate
CID 43665927
methyl 3-[(4-amino-2-methoxyphenyl)sulfonylamino]propanoate
CID 43665942
5-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64928220
5-amino-2-fluoro-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106333323
methyl 3-[(3-aminophenyl)sulfonylamino]propanoate
CID 43665916
3-fluoro-4-[(3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid
CID 79187850
methyl 3-[(2-aminophenyl)sulfonylamino]propanoate
CID 43665938
5-amino-2-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 114464982
methyl 3-[(5-amino-2-fluorobenzoyl)amino]propanoate
CID 43665877
5-amino-2-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43498706
2-[(5-amino-2-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 43567667
5-amino-2-fluoro-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 79756333

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-amino-2-fluorophenyl)sulfonylamino]propanoate?
The IUPAC name of methyl 3-[(5-amino-2-fluorophenyl)sulfonylamino]propanoate (CID 43665947) is methyl 3-[(5-amino-2-fluorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for methyl 3-[(5-amino-2-fluorophenyl)sulfonylamino]propanoate?
The canonical SMILES for methyl 3-[(5-amino-2-fluorophenyl)sulfonylamino]propanoate is COC(=O)CCNS(=O)(=O)c1cc(N)ccc1F.
What is the InChIKey of methyl 3-[(5-amino-2-fluorophenyl)sulfonylamino]propanoate?
The InChIKey is QYMVYTRVINALDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O4S/c1-17-10(14)4-5-13-18(15,16)9-6-7(12)2-3-8(9)11/h2-3,6,13H,4-5,12H2,1H3.
What are the key properties of methyl 3-[(5-amino-2-fluorophenyl)sulfonylamino]propanoate?
methyl 3-[(5-amino-2-fluorophenyl)sulfonylamino]propanoate has a molecular weight of 276.29 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-amino-2-fluorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 43665947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).