ethyl 5-(benzenesulfonamido)-7-bromo-2-methyl-1-benzofuran-3-carboxylate

C18H16BrNO5S — CID 1364614

IUPACethyl 5-(benzenesulfonamido)-7-bromo-2-methyl-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc2c(Br)cc(NS(=O)(=O)c3ccccc3)cc12
InChIInChI=1S/C18H16BrNO5S/c1-3-24-18(21)16-11(2)25-17-14(16)9-12(10-15(17)19)20-26(22,23)13-7-5-4-6-8-13/h4-10,20H,3H2,1-2H3
InChIKeyZWPFPVOXIQFMKG-UHFFFAOYSA-N
MW438.30 g/mol
LogP4.48
Rot. Bonds5

About ethyl 5-(benzenesulfonamido)-7-bromo-2-methyl-1-benzofuran-3-carboxylate

ethyl 5-(benzenesulfonamido)-7-bromo-2-methyl-1-benzofuran-3-carboxylate (PubChem CID 1364614) has the molecular formula C18H16BrNO5S and a molecular weight of 438.30 g/mol. Its IUPAC name is ethyl 5-(benzenesulfonamido)-7-bromo-2-methyl-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(benzenesulfonamido)-7-bromo-2-methyl-1-benzofuran-3-carboxylate
PubChem CID1364614
Molecular FormulaC18H16BrNO5S
Molecular Weight438.30 g/mol
Exact Mass436.99
IUPAC Nameethyl 5-(benzenesulfonamido)-7-bromo-2-methyl-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc2c(Br)cc(NS(=O)(=O)c3ccccc3)cc12
InChIInChI=1S/C18H16BrNO5S/c1-3-24-18(21)16-11(2)25-17-14(16)9-12(10-15(17)19)20-26(22,23)13-7-5-4-6-8-13/h4-10,20H,3H2,1-2H3
InChIKeyZWPFPVOXIQFMKG-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

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Related Compounds

7-bromo-5-[(4-ethylphenyl)sulfonylamino]-2-methyl-N-phenyl-1-benzofuran-3-carboxamide
CID 25037370
ethyl 7-chloro-2-methyl-5-(naphthalen-2-ylsulfonylamino)-1-benzofuran-3-carboxylate
CID 4049549
ethyl 7-chloro-5-[(2,5-dibromophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 25042342
propyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate
CID 25043109
ethyl 2-methyl-5-[(4-methylphenyl)sulfamoyl]benzo[g][1]benzofuran-3-carboxylate
CID 171977289
ethyl 5-[(4-chlorophenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylate
CID 5000421
ethyl 5-(benzenesulfonamido)-2-phenylbenzo[g][1]benzofuran-3-carboxylate
CID 1490255
7-chloro-2-methyl-5-[(4-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide
CID 25047325
7-chloro-2-methyl-5-[(2-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide
CID 25046845
ethyl 5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylate
CID 678599
ethyl 5-[(4-bromophenyl)sulfonylamino]-3-methyl-1-benzofuran-2-carboxylate
CID 127048856
ethyl 5-[(4-chloro-3-nitrophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 2867458

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(benzenesulfonamido)-7-bromo-2-methyl-1-benzofuran-3-carboxylate?
The IUPAC name of ethyl 5-(benzenesulfonamido)-7-bromo-2-methyl-1-benzofuran-3-carboxylate (CID 1364614) is ethyl 5-(benzenesulfonamido)-7-bromo-2-methyl-1-benzofuran-3-carboxylate.
What is the SMILES notation for ethyl 5-(benzenesulfonamido)-7-bromo-2-methyl-1-benzofuran-3-carboxylate?
The canonical SMILES for ethyl 5-(benzenesulfonamido)-7-bromo-2-methyl-1-benzofuran-3-carboxylate is CCOC(=O)c1c(C)oc2c(Br)cc(NS(=O)(=O)c3ccccc3)cc12.
What is the InChIKey of ethyl 5-(benzenesulfonamido)-7-bromo-2-methyl-1-benzofuran-3-carboxylate?
The InChIKey is ZWPFPVOXIQFMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO5S/c1-3-24-18(21)16-11(2)25-17-14(16)9-12(10-15(17)19)20-26(22,23)13-7-5-4-6-8-13/h4-10,20H,3H2,1-2H3.
What are the key properties of ethyl 5-(benzenesulfonamido)-7-bromo-2-methyl-1-benzofuran-3-carboxylate?
ethyl 5-(benzenesulfonamido)-7-bromo-2-methyl-1-benzofuran-3-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-(benzenesulfonamido)-7-bromo-2-methyl-1-benzofuran-3-carboxylate is sourced from PubChem (CID 1364614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).