methyl 2-[(4-amino-3-fluorophenyl)sulfonylamino]acetate

C9H11FN2O4S — CID 82844762

IUPACmethyl 2-[(4-amino-3-fluorophenyl)sulfonylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C9H11FN2O4S/c1-16-9(13)5-12-17(14,15)6-2-3-8(11)7(10)4-6/h2-4,12H,5,11H2,1H3
InChIKeyZCXVDFRBFMSPOD-UHFFFAOYSA-N
MW262.26 g/mol
LogP-0.14
Rot. Bonds4

About methyl 2-[(4-amino-3-fluorophenyl)sulfonylamino]acetate

methyl 2-[(4-amino-3-fluorophenyl)sulfonylamino]acetate (PubChem CID 82844762) has the molecular formula C9H11FN2O4S and a molecular weight of 262.26 g/mol. Its IUPAC name is methyl 2-[(4-amino-3-fluorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-amino-3-fluorophenyl)sulfonylamino]acetate
PubChem CID82844762
Molecular FormulaC9H11FN2O4S
Molecular Weight262.26 g/mol
Exact Mass262.04
IUPAC Namemethyl 2-[(4-amino-3-fluorophenyl)sulfonylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C9H11FN2O4S/c1-16-9(13)5-12-17(14,15)6-2-3-8(11)7(10)4-6/h2-4,12H,5,11H2,1H3
InChIKeyZCXVDFRBFMSPOD-UHFFFAOYSA-N
XLogP-0.14
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(4-bromo-3-fluorophenyl)sulfonylamino]acetate
CID 113242602
4-amino-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 82843843
methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 3747735
4-amino-3-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 82844340
3-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 82844098
methyl 2-[[4-(methylsulfamoyl)phenyl]sulfonylamino]acetate
CID 43423382
4-amino-N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzenesulfonamide
CID 82843587
methyl 2-[(4-bromophenyl)sulfonylamino]acetate
CID 669307
4-amino-3-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 82845702
ethyl 2-[(3-amino-5-fluoro-4-methoxyphenyl)sulfonylamino]acetate
CID 114625222
ethyl 2-[(4-amino-3-fluorophenyl)sulfonylamino]propanoate
CID 82844635
4-amino-3-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 82844183

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-amino-3-fluorophenyl)sulfonylamino]acetate?
The IUPAC name of methyl 2-[(4-amino-3-fluorophenyl)sulfonylamino]acetate (CID 82844762) is methyl 2-[(4-amino-3-fluorophenyl)sulfonylamino]acetate.
What is the SMILES notation for methyl 2-[(4-amino-3-fluorophenyl)sulfonylamino]acetate?
The canonical SMILES for methyl 2-[(4-amino-3-fluorophenyl)sulfonylamino]acetate is COC(=O)CNS(=O)(=O)c1ccc(N)c(F)c1.
What is the InChIKey of methyl 2-[(4-amino-3-fluorophenyl)sulfonylamino]acetate?
The InChIKey is ZCXVDFRBFMSPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O4S/c1-16-9(13)5-12-17(14,15)6-2-3-8(11)7(10)4-6/h2-4,12H,5,11H2,1H3.
What are the key properties of methyl 2-[(4-amino-3-fluorophenyl)sulfonylamino]acetate?
methyl 2-[(4-amino-3-fluorophenyl)sulfonylamino]acetate has a molecular weight of 262.26 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-amino-3-fluorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 82844762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).