ethyl 2-[(3-amino-5-fluorophenyl)sulfonylamino]acetate

C10H13FN2O4S — CID 63321745

IUPACethyl 2-[(3-amino-5-fluorophenyl)sulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)c1cc(N)cc(F)c1
InChIInChI=1S/C10H13FN2O4S/c1-2-17-10(14)6-13-18(15,16)9-4-7(11)3-8(12)5-9/h3-5,13H,2,6,12H2,1H3
InChIKeyBCEMCVWGRFMNEQ-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.25
Rot. Bonds5

About ethyl 2-[(3-amino-5-fluorophenyl)sulfonylamino]acetate

ethyl 2-[(3-amino-5-fluorophenyl)sulfonylamino]acetate (PubChem CID 63321745) has the molecular formula C10H13FN2O4S and a molecular weight of 276.29 g/mol. Its IUPAC name is ethyl 2-[(3-amino-5-fluorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-amino-5-fluorophenyl)sulfonylamino]acetate
PubChem CID63321745
Molecular FormulaC10H13FN2O4S
Molecular Weight276.29 g/mol
Exact Mass276.06
IUPAC Nameethyl 2-[(3-amino-5-fluorophenyl)sulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)c1cc(N)cc(F)c1
InChIInChI=1S/C10H13FN2O4S/c1-2-17-10(14)6-13-18(15,16)9-4-7(11)3-8(12)5-9/h3-5,13H,2,6,12H2,1H3
InChIKeyBCEMCVWGRFMNEQ-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'}

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Related Compounds

ethyl 2-[(3-amino-5-fluoro-4-methoxyphenyl)sulfonylamino]acetate
CID 114625222
2-chloro-5-[(2-ethoxy-2-oxoethyl)sulfamoyl]-3-fluorobenzoic acid
CID 81452105
ethyl 2-[(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetate
CID 107325674
2-[(3-amino-5-fluorophenyl)sulfonylamino]ethyl carbamate
CID 83201880
ethyl 2-[(4-bromo-3-fluorophenyl)sulfonylamino]acetate
CID 113242602
3-amino-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide
CID 63322367
3-amino-5-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide
CID 66092430
ethyl 2-[(3-hydroxyphenyl)sulfonylamino]acetate
CID 81258635
3-amino-5-fluoro-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106333327
3-amino-5-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104758401
1-(3-amino-5-fluorophenyl)sulfonyl-3-methylurea
CID 116646026
3-amino-5-fluoro-N-(2-sulfamoylethyl)benzenesulfonamide
CID 63322264

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-amino-5-fluorophenyl)sulfonylamino]acetate?
The IUPAC name of ethyl 2-[(3-amino-5-fluorophenyl)sulfonylamino]acetate (CID 63321745) is ethyl 2-[(3-amino-5-fluorophenyl)sulfonylamino]acetate.
What is the SMILES notation for ethyl 2-[(3-amino-5-fluorophenyl)sulfonylamino]acetate?
The canonical SMILES for ethyl 2-[(3-amino-5-fluorophenyl)sulfonylamino]acetate is CCOC(=O)CNS(=O)(=O)c1cc(N)cc(F)c1.
What is the InChIKey of ethyl 2-[(3-amino-5-fluorophenyl)sulfonylamino]acetate?
The InChIKey is BCEMCVWGRFMNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O4S/c1-2-17-10(14)6-13-18(15,16)9-4-7(11)3-8(12)5-9/h3-5,13H,2,6,12H2,1H3.
What are the key properties of ethyl 2-[(3-amino-5-fluorophenyl)sulfonylamino]acetate?
ethyl 2-[(3-amino-5-fluorophenyl)sulfonylamino]acetate 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 ethyl 2-[(3-amino-5-fluorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 63321745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).