ethyl 2-[2-bromo-6-(tert-butylsulfamoyl)phenyl]acetate

C14H20BrNO4S — CID 177306765

IUPACethyl 2-[2-bromo-6-(tert-butylsulfamoyl)phenyl]acetate
SMILESCCOC(=O)Cc1c(Br)cccc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C14H20BrNO4S/c1-5-20-13(17)9-10-11(15)7-6-8-12(10)21(18,19)16-14(2,3)4/h6-8,16H,5,9H2,1-4H3
InChIKeyASOQXTWETFCIEB-UHFFFAOYSA-N
MW378.29 g/mol
LogP2.63
Rot. Bonds5

About ethyl 2-[2-bromo-6-(tert-butylsulfamoyl)phenyl]acetate

ethyl 2-[2-bromo-6-(tert-butylsulfamoyl)phenyl]acetate (PubChem CID 177306765) has the molecular formula C14H20BrNO4S and a molecular weight of 378.29 g/mol. Its IUPAC name is ethyl 2-[2-bromo-6-(tert-butylsulfamoyl)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-bromo-6-(tert-butylsulfamoyl)phenyl]acetate
PubChem CID177306765
Molecular FormulaC14H20BrNO4S
Molecular Weight378.29 g/mol
Exact Mass377.03
IUPAC Nameethyl 2-[2-bromo-6-(tert-butylsulfamoyl)phenyl]acetate
SMILESCCOC(=O)Cc1c(Br)cccc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C14H20BrNO4S/c1-5-20-13(17)9-10-11(15)7-6-8-12(10)21(18,19)16-14(2,3)4/h6-8,16H,5,9H2,1-4H3
InChIKeyASOQXTWETFCIEB-UHFFFAOYSA-N
XLogP2.63
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[2-bromo-6-(tert-butylsulfamoyl)phenyl]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

ethyl 2-(2-bromo-6-methylphenyl)acetate
CID 134615175
ethyl 2-(2-amino-6-bromo-3-fluorophenyl)acetate
CID 171019947
ethyl 2-[3-bromo-2-(3-chloropropyl)phenyl]acetate
CID 134632812
ethyl 3-[2-bromo-6-(2-methoxy-2-oxoethyl)phenyl]propanoate
CID 134634878
ethyl 3-[4-(tert-butylsulfamoyl)anilino]-3-oxopropanoate
CID 17097498
ethyl 2-(6-amino-2,3-dibromophenyl)acetate
CID 171010935
ethyl 2-[(2-amino-6-bromophenyl)methylamino]acetate
CID 10613258
ethyl 2-[(3-bromo-2-methylphenyl)sulfamoyl]acetate
CID 107640763
ethyl 2-(2,6-dibromo-4-chlorophenyl)acetate
CID 171033814
ethyl 2-[2-bromo-3-(trifluoromethylsulfonyloxy)phenyl]acetate
CID 174862846
ethyl 2-(2-methyl-6-propanoylphenyl)acetate
CID 134614867
ethyl 2-(2-amino-3-bromo-6-chlorophenyl)acetate
CID 171017066

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-bromo-6-(tert-butylsulfamoyl)phenyl]acetate?
The IUPAC name of ethyl 2-[2-bromo-6-(tert-butylsulfamoyl)phenyl]acetate (CID 177306765) is ethyl 2-[2-bromo-6-(tert-butylsulfamoyl)phenyl]acetate.
What is the SMILES notation for ethyl 2-[2-bromo-6-(tert-butylsulfamoyl)phenyl]acetate?
The canonical SMILES for ethyl 2-[2-bromo-6-(tert-butylsulfamoyl)phenyl]acetate is CCOC(=O)Cc1c(Br)cccc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of ethyl 2-[2-bromo-6-(tert-butylsulfamoyl)phenyl]acetate?
The InChIKey is ASOQXTWETFCIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO4S/c1-5-20-13(17)9-10-11(15)7-6-8-12(10)21(18,19)16-14(2,3)4/h6-8,16H,5,9H2,1-4H3.
What are the key properties of ethyl 2-[2-bromo-6-(tert-butylsulfamoyl)phenyl]acetate?
ethyl 2-[2-bromo-6-(tert-butylsulfamoyl)phenyl]acetate has a molecular weight of 378.29 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-bromo-6-(tert-butylsulfamoyl)phenyl]acetate is sourced from PubChem (CID 177306765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).