methyl 2-[(5-amino-2,4-difluorophenyl)sulfamoyl]acetate

C9H10F2N2O4S — CID 54952675

IUPACmethyl 2-[(5-amino-2,4-difluorophenyl)sulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)Nc1cc(N)c(F)cc1F
InChIInChI=1S/C9H10F2N2O4S/c1-17-9(14)4-18(15,16)13-8-3-7(12)5(10)2-6(8)11/h2-3,13H,4,12H2,1H3
InChIKeyZIZAKIOUAAWRGM-UHFFFAOYSA-N
MW280.25 g/mol
LogP0.46
Rot. Bonds4

About methyl 2-[(5-amino-2,4-difluorophenyl)sulfamoyl]acetate

methyl 2-[(5-amino-2,4-difluorophenyl)sulfamoyl]acetate (PubChem CID 54952675) has the molecular formula C9H10F2N2O4S and a molecular weight of 280.25 g/mol. Its IUPAC name is methyl 2-[(5-amino-2,4-difluorophenyl)sulfamoyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-amino-2,4-difluorophenyl)sulfamoyl]acetate
PubChem CID54952675
Molecular FormulaC9H10F2N2O4S
Molecular Weight280.25 g/mol
Exact Mass280.03
IUPAC Namemethyl 2-[(5-amino-2,4-difluorophenyl)sulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)Nc1cc(N)c(F)cc1F
InChIInChI=1S/C9H10F2N2O4S/c1-17-9(14)4-18(15,16)13-8-3-7(12)5(10)2-6(8)11/h2-3,13H,4,12H2,1H3
InChIKeyZIZAKIOUAAWRGM-UHFFFAOYSA-N
XLogP0.46
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 50.46
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-[(5-amino-2,4-difluorophenyl)sulfamoyl]acetate
CID 61456632
3-fluoro-4-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid
CID 63190339
methyl 2-[(2-aminophenyl)sulfamoyl]acetate
CID 14002853
5-fluoro-2-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid
CID 54530763
ethyl 3-[(5-amino-2-bromo-4-fluorophenyl)sulfamoyl]propanoate
CID 91571495
4,6-difluoro-3-N-(2-methylpropylsulfamoyl)benzene-1,3-diamine
CID 114814126
2-fluoro-5-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid
CID 61359529
methyl 2-[(2-hydroxy-4-methylphenyl)sulfamoyl]acetate
CID 54952049
methyl 2-[(2-bromo-4-methylphenyl)sulfamoyl]acetate
CID 61359151
methyl 2-(4-amino-5-fluoro-2-methylphenyl)acetate
CID 131302688
ethyl 2-[(3-amino-2-methylphenyl)sulfamoyl]acetate
CID 54952571
methyl 2-[(4-amino-3-fluorophenyl)sulfonylamino]acetate
CID 82844762

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-amino-2,4-difluorophenyl)sulfamoyl]acetate?
The IUPAC name of methyl 2-[(5-amino-2,4-difluorophenyl)sulfamoyl]acetate (CID 54952675) is methyl 2-[(5-amino-2,4-difluorophenyl)sulfamoyl]acetate.
What is the SMILES notation for methyl 2-[(5-amino-2,4-difluorophenyl)sulfamoyl]acetate?
The canonical SMILES for methyl 2-[(5-amino-2,4-difluorophenyl)sulfamoyl]acetate is COC(=O)CS(=O)(=O)Nc1cc(N)c(F)cc1F.
What is the InChIKey of methyl 2-[(5-amino-2,4-difluorophenyl)sulfamoyl]acetate?
The InChIKey is ZIZAKIOUAAWRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O4S/c1-17-9(14)4-18(15,16)13-8-3-7(12)5(10)2-6(8)11/h2-3,13H,4,12H2,1H3.
What are the key properties of methyl 2-[(5-amino-2,4-difluorophenyl)sulfamoyl]acetate?
methyl 2-[(5-amino-2,4-difluorophenyl)sulfamoyl]acetate has a molecular weight of 280.25 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-amino-2,4-difluorophenyl)sulfamoyl]acetate is sourced from PubChem (CID 54952675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).