ethyl 2-[(2-amino-4-bromo-6-methylphenyl)sulfamoyl]acetate

C11H15BrN2O4S — CID 61456633

IUPACethyl 2-[(2-amino-4-bromo-6-methylphenyl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)Nc1c(C)cc(Br)cc1N
InChIInChI=1S/C11H15BrN2O4S/c1-3-18-10(15)6-19(16,17)14-11-7(2)4-8(12)5-9(11)13/h4-5,14H,3,6,13H2,1-2H3
InChIKeyDAYSMOMICPBGFA-UHFFFAOYSA-N
MW351.22 g/mol
LogP1.64
Rot. Bonds5

About ethyl 2-[(2-amino-4-bromo-6-methylphenyl)sulfamoyl]acetate

ethyl 2-[(2-amino-4-bromo-6-methylphenyl)sulfamoyl]acetate (PubChem CID 61456633) has the molecular formula C11H15BrN2O4S and a molecular weight of 351.22 g/mol. Its IUPAC name is ethyl 2-[(2-amino-4-bromo-6-methylphenyl)sulfamoyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-amino-4-bromo-6-methylphenyl)sulfamoyl]acetate
PubChem CID61456633
Molecular FormulaC11H15BrN2O4S
Molecular Weight351.22 g/mol
Exact Mass349.99
IUPAC Nameethyl 2-[(2-amino-4-bromo-6-methylphenyl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)Nc1c(C)cc(Br)cc1N
InChIInChI=1S/C11H15BrN2O4S/c1-3-18-10(15)6-19(16,17)14-11-7(2)4-8(12)5-9(11)13/h4-5,14H,3,6,13H2,1-2H3
InChIKeyDAYSMOMICPBGFA-UHFFFAOYSA-N
XLogP1.64
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 51.64
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 4-[(2-amino-4-bromo-6-methylphenyl)sulfamoyl]butanoate
CID 61457360
ethyl 2-[(4-amino-2,6-dibromophenyl)sulfamoyl]acetate
CID 61457058
ethyl 2-[(3-amino-4-bromophenyl)sulfamoyl]acetate
CID 79767666
ethyl 2-[(4-amino-3-bromophenyl)sulfamoyl]acetate
CID 82861891
ethyl 2-[(2-amino-6-chlorophenyl)sulfamoyl]acetate
CID 62084091
5-bromo-3-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,2-diamine
CID 114804603
5-bromo-3-methyl-2-N-(propan-2-ylsulfamoyl)benzene-1,2-diamine
CID 114804604
ethyl 2-[(3-amino-2-methylphenyl)sulfamoyl]acetate
CID 54952571
ethyl 2-[(5-amino-2,4-difluorophenyl)sulfamoyl]acetate
CID 61456632
N-(2-amino-4-bromo-6-methylphenyl)-5-ethylthiophene-2-sulfonamide
CID 61454204
ethyl 2-[(3-bromo-2-methylphenyl)sulfamoyl]acetate
CID 107640763
ethyl 2-[(2-bromo-4-chlorophenyl)sulfamoyl]acetate
CID 81274474

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-amino-4-bromo-6-methylphenyl)sulfamoyl]acetate?
The IUPAC name of ethyl 2-[(2-amino-4-bromo-6-methylphenyl)sulfamoyl]acetate (CID 61456633) is ethyl 2-[(2-amino-4-bromo-6-methylphenyl)sulfamoyl]acetate.
What is the SMILES notation for ethyl 2-[(2-amino-4-bromo-6-methylphenyl)sulfamoyl]acetate?
The canonical SMILES for ethyl 2-[(2-amino-4-bromo-6-methylphenyl)sulfamoyl]acetate is CCOC(=O)CS(=O)(=O)Nc1c(C)cc(Br)cc1N.
What is the InChIKey of ethyl 2-[(2-amino-4-bromo-6-methylphenyl)sulfamoyl]acetate?
The InChIKey is DAYSMOMICPBGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O4S/c1-3-18-10(15)6-19(16,17)14-11-7(2)4-8(12)5-9(11)13/h4-5,14H,3,6,13H2,1-2H3.
What are the key properties of ethyl 2-[(2-amino-4-bromo-6-methylphenyl)sulfamoyl]acetate?
ethyl 2-[(2-amino-4-bromo-6-methylphenyl)sulfamoyl]acetate has a molecular weight of 351.22 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-amino-4-bromo-6-methylphenyl)sulfamoyl]acetate is sourced from PubChem (CID 61456633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).