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

C10H12F2N2O4S — CID 61456632

IUPACethyl 2-[(5-amino-2,4-difluorophenyl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)Nc1cc(N)c(F)cc1F
InChIInChI=1S/C10H12F2N2O4S/c1-2-18-10(15)5-19(16,17)14-9-4-8(13)6(11)3-7(9)12/h3-4,14H,2,5,13H2,1H3
InChIKeyVGHVIUNXPHMNFS-UHFFFAOYSA-N
MW294.28 g/mol
LogP0.85
Rot. Bonds5

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

ethyl 2-[(5-amino-2,4-difluorophenyl)sulfamoyl]acetate (PubChem CID 61456632) has the molecular formula C10H12F2N2O4S and a molecular weight of 294.28 g/mol. Its IUPAC name is ethyl 2-[(5-amino-2,4-difluorophenyl)sulfamoyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-amino-2,4-difluorophenyl)sulfamoyl]acetate
PubChem CID61456632
Molecular FormulaC10H12F2N2O4S
Molecular Weight294.28 g/mol
Exact Mass294.05
IUPAC Nameethyl 2-[(5-amino-2,4-difluorophenyl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)Nc1cc(N)c(F)cc1F
InChIInChI=1S/C10H12F2N2O4S/c1-2-18-10(15)5-19(16,17)14-9-4-8(13)6(11)3-7(9)12/h3-4,14H,2,5,13H2,1H3
InChIKeyVGHVIUNXPHMNFS-UHFFFAOYSA-N
XLogP0.85
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 50.85
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

methyl 2-[(5-amino-2,4-difluorophenyl)sulfamoyl]acetate
CID 54952675
ethyl 3-[(5-amino-2-bromo-4-fluorophenyl)sulfamoyl]propanoate
CID 91571495
ethyl 2-[(3-amino-2-methylphenyl)sulfamoyl]acetate
CID 54952571
ethyl 2-[[2-amino-4-(trifluoromethyl)phenyl]sulfamoyl]acetate
CID 61457117
ethyl 2-[(3-bromo-4-fluorophenyl)sulfamoyl]acetate
CID 113452283
ethyl 2-[(2-hydroxyphenyl)sulfamoyl]acetate
CID 54952211
2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-4-fluorobenzoic acid
CID 61456671
ethyl 2-[(4-amino-3-bromophenyl)sulfamoyl]acetate
CID 82861891
ethyl 2-[(5-amino-2-chlorophenyl)sulfamoyl]acetate
CID 54952001
ethyl 2-[(4-amino-2-methoxyphenyl)sulfamoyl]acetate
CID 61456593
ethyl 2-[(2-bromo-4-chlorophenyl)sulfamoyl]acetate
CID 81274474
ethyl 2-[(3-amino-4-bromophenyl)sulfamoyl]acetate
CID 79767666

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-amino-2,4-difluorophenyl)sulfamoyl]acetate?
The IUPAC name of ethyl 2-[(5-amino-2,4-difluorophenyl)sulfamoyl]acetate (CID 61456632) is ethyl 2-[(5-amino-2,4-difluorophenyl)sulfamoyl]acetate.
What is the SMILES notation for ethyl 2-[(5-amino-2,4-difluorophenyl)sulfamoyl]acetate?
The canonical SMILES for ethyl 2-[(5-amino-2,4-difluorophenyl)sulfamoyl]acetate is CCOC(=O)CS(=O)(=O)Nc1cc(N)c(F)cc1F.
What is the InChIKey of ethyl 2-[(5-amino-2,4-difluorophenyl)sulfamoyl]acetate?
The InChIKey is VGHVIUNXPHMNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O4S/c1-2-18-10(15)5-19(16,17)14-9-4-8(13)6(11)3-7(9)12/h3-4,14H,2,5,13H2,1H3.
What are the key properties of ethyl 2-[(5-amino-2,4-difluorophenyl)sulfamoyl]acetate?
ethyl 2-[(5-amino-2,4-difluorophenyl)sulfamoyl]acetate has a molecular weight of 294.28 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-amino-2,4-difluorophenyl)sulfamoyl]acetate is sourced from PubChem (CID 61456632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).