methyl 2-[2-bromo-4-[2-(furan-2-yl)ethylsulfamoyl]phenoxy]acetate

C15H16BrNO6S — CID 100814264

IUPACmethyl 2-[2-bromo-4-[2-(furan-2-yl)ethylsulfamoyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)NCCc2ccco2)cc1Br
InChIInChI=1S/C15H16BrNO6S/c1-21-15(18)10-23-14-5-4-12(9-13(14)16)24(19,20)17-7-6-11-3-2-8-22-11/h2-5,8-9,17H,6-7,10H2,1H3
InChIKeyWCCWFSNISFOPFH-UHFFFAOYSA-N
MW418.27 g/mol
LogP2.11
Rot. Bonds8

About methyl 2-[2-bromo-4-[2-(furan-2-yl)ethylsulfamoyl]phenoxy]acetate

methyl 2-[2-bromo-4-[2-(furan-2-yl)ethylsulfamoyl]phenoxy]acetate (PubChem CID 100814264) has the molecular formula C15H16BrNO6S and a molecular weight of 418.27 g/mol. Its IUPAC name is methyl 2-[2-bromo-4-[2-(furan-2-yl)ethylsulfamoyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-bromo-4-[2-(furan-2-yl)ethylsulfamoyl]phenoxy]acetate
PubChem CID100814264
Molecular FormulaC15H16BrNO6S
Molecular Weight418.27 g/mol
Exact Mass416.99
IUPAC Namemethyl 2-[2-bromo-4-[2-(furan-2-yl)ethylsulfamoyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)NCCc2ccco2)cc1Br
InChIInChI=1S/C15H16BrNO6S/c1-21-15(18)10-23-14-5-4-12(9-13(14)16)24(19,20)17-7-6-11-3-2-8-22-11/h2-5,8-9,17H,6-7,10H2,1H3
InChIKeyWCCWFSNISFOPFH-UHFFFAOYSA-N
XLogP2.11
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[2-bromo-4-[2-(furan-2-yl)ethylsulfamoyl]phenoxy]acetate 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

4-amino-N-[2-(furan-2-yl)ethyl]-3-methoxybenzenesulfonamide
CID 81438347
3-bromo-N-[(2R)-4-(furan-2-yl)butan-2-yl]-4-methoxybenzenesulfonamide
CID 39949050
methyl 2-bromo-5-(furan-2-ylmethylsulfamoyl)benzoate
CID 51289514
methyl 2-[2-bromo-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenoxy]acetate
CID 100814263
N-[3-(furan-2-yl)propyl]-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 53281021
2,5-dibromo-N-[2-(furan-2-yl)ethyl]-4-methylbenzenesulfonamide
CID 81423180
N-(furan-2-ylmethyl)-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 1243341
3-bromo-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
CID 1120509
3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-propoxybenzamide
CID 17170977
5-(furan-2-ylmethylsulfamoyl)-2-methoxybenzamide
CID 34027934
N-[5-(furan-2-ylmethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 2991258
methyl 2-[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-2-methylphenoxy]acetate
CID 2211650

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-bromo-4-[2-(furan-2-yl)ethylsulfamoyl]phenoxy]acetate?
The IUPAC name of methyl 2-[2-bromo-4-[2-(furan-2-yl)ethylsulfamoyl]phenoxy]acetate (CID 100814264) is methyl 2-[2-bromo-4-[2-(furan-2-yl)ethylsulfamoyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[2-bromo-4-[2-(furan-2-yl)ethylsulfamoyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[2-bromo-4-[2-(furan-2-yl)ethylsulfamoyl]phenoxy]acetate is COC(=O)COc1ccc(S(=O)(=O)NCCc2ccco2)cc1Br.
What is the InChIKey of methyl 2-[2-bromo-4-[2-(furan-2-yl)ethylsulfamoyl]phenoxy]acetate?
The InChIKey is WCCWFSNISFOPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO6S/c1-21-15(18)10-23-14-5-4-12(9-13(14)16)24(19,20)17-7-6-11-3-2-8-22-11/h2-5,8-9,17H,6-7,10H2,1H3.
What are the key properties of methyl 2-[2-bromo-4-[2-(furan-2-yl)ethylsulfamoyl]phenoxy]acetate?
methyl 2-[2-bromo-4-[2-(furan-2-yl)ethylsulfamoyl]phenoxy]acetate has a molecular weight of 418.27 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-bromo-4-[2-(furan-2-yl)ethylsulfamoyl]phenoxy]acetate is sourced from PubChem (CID 100814264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).