ethyl 5-[(4-bromophenyl)sulfonylamino]-3-methyl-1-benzofuran-2-carboxylate

C18H16BrNO5S — CID 127048856

IUPACethyl 5-[(4-bromophenyl)sulfonylamino]-3-methyl-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2c1C
InChIInChI=1S/C18H16BrNO5S/c1-3-24-18(21)17-11(2)15-10-13(6-9-16(15)25-17)20-26(22,23)14-7-4-12(19)5-8-14/h4-10,20H,3H2,1-2H3
InChIKeySRJLQBRJRNKMCB-UHFFFAOYSA-N
MW438.30 g/mol
LogP4.48
Rot. Bonds5

About ethyl 5-[(4-bromophenyl)sulfonylamino]-3-methyl-1-benzofuran-2-carboxylate

ethyl 5-[(4-bromophenyl)sulfonylamino]-3-methyl-1-benzofuran-2-carboxylate (PubChem CID 127048856) has the molecular formula C18H16BrNO5S and a molecular weight of 438.30 g/mol. Its IUPAC name is ethyl 5-[(4-bromophenyl)sulfonylamino]-3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(4-bromophenyl)sulfonylamino]-3-methyl-1-benzofuran-2-carboxylate
PubChem CID127048856
Molecular FormulaC18H16BrNO5S
Molecular Weight438.30 g/mol
Exact Mass436.99
IUPAC Nameethyl 5-[(4-bromophenyl)sulfonylamino]-3-methyl-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2c1C
InChIInChI=1S/C18H16BrNO5S/c1-3-24-18(21)17-11(2)15-10-13(6-9-16(15)25-17)20-26(22,23)14-7-4-12(19)5-8-14/h4-10,20H,3H2,1-2H3
InChIKeySRJLQBRJRNKMCB-UHFFFAOYSA-N
XLogP4.48
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.30
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 5-[(4-bromophenyl)sulfonylamino]-3-methyl-1-benzofuran-2-carboxylate 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 3-methyl-5-(naphthalen-2-ylsulfamoyl)-1-benzofuran-2-carboxylate
CID 169244642
ethyl 3-methyl-5-[(3-propan-2-ylphenyl)sulfonylamino]-1-benzofuran-2-carboxylate
CID 145274263
2-ethoxyethyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate
CID 55354978
ethyl 5-[[4-(1,3-benzothiazol-2-yl)phenyl]sulfamoyl]-3-methyl-1-benzofuran-2-carboxylate
CID 46381103
ethyl 3-methyl-5-[(2-phenylacetyl)sulfamoyl]-1-benzofuran-2-carboxylate
CID 169244624
ethyl 5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-3-methyl-1-benzofuran-2-carboxylate
CID 120875134
butyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate
CID 78915211
ethyl 5-[(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxylate
CID 20962018
ethyl 3-methyl-5-[[(3R)-piperidin-3-yl]sulfamoyl]-1-benzofuran-2-carboxylate
CID 120876450
ethyl 5-bromo-3-hydroxy-1-benzofuran-2-carboxylate
CID 123486915
ethyl 3-methyl-5-(piperidin-3-ylsulfamoyl)-1-benzofuran-2-carboxylate;hydrochloride
CID 120874558
ethyl 3-methyl-5-[2-[3-(methylamino)phenyl]ethylsulfamoyl]-1-benzofuran-2-carboxylate
CID 170307542

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4-bromophenyl)sulfonylamino]-3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 5-[(4-bromophenyl)sulfonylamino]-3-methyl-1-benzofuran-2-carboxylate (CID 127048856) is ethyl 5-[(4-bromophenyl)sulfonylamino]-3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 5-[(4-bromophenyl)sulfonylamino]-3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 5-[(4-bromophenyl)sulfonylamino]-3-methyl-1-benzofuran-2-carboxylate is CCOC(=O)c1oc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2c1C.
What is the InChIKey of ethyl 5-[(4-bromophenyl)sulfonylamino]-3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is SRJLQBRJRNKMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO5S/c1-3-24-18(21)17-11(2)15-10-13(6-9-16(15)25-17)20-26(22,23)14-7-4-12(19)5-8-14/h4-10,20H,3H2,1-2H3.
What are the key properties of ethyl 5-[(4-bromophenyl)sulfonylamino]-3-methyl-1-benzofuran-2-carboxylate?
ethyl 5-[(4-bromophenyl)sulfonylamino]-3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 438.30 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4-bromophenyl)sulfonylamino]-3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 127048856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).