3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-N-(4-propylsulfonylphenyl)-1-benzofuran-6-sulfonamide

C26H23Br2NO7S2 — CID 10218960

IUPAC3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-N-(4-propylsulfonylphenyl)-1-benzofuran-6-sulfonamide
SMILESCCCS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3c(C(=O)c4cc(Br)c(O)c(Br)c4)c(CC)oc3c2)cc1
InChIInChI=1S/C26H23Br2NO7S2/c1-3-11-37(32,33)17-7-5-16(6-8-17)29-38(34,35)18-9-10-19-23(14-18)36-22(4-2)24(19)25(30)15-12-20(27)26(31)21(28)13-15/h5-10,12-14,29,31H,3-4,11H2,1-2H3
InChIKeyDNSQIITVNYFNLO-UHFFFAOYSA-N
MW685.41 g/mol
LogP6.44
Rot. Bonds9

About 3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-N-(4-propylsulfonylphenyl)-1-benzofuran-6-sulfonamide

3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-N-(4-propylsulfonylphenyl)-1-benzofuran-6-sulfonamide (PubChem CID 10218960) has the molecular formula C26H23Br2NO7S2 and a molecular weight of 685.41 g/mol. Its IUPAC name is 3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-N-(4-propylsulfonylphenyl)-1-benzofuran-6-sulfonamide.

Molecular Properties

Compound Name3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-N-(4-propylsulfonylphenyl)-1-benzofuran-6-sulfonamide
PubChem CID10218960
Molecular FormulaC26H23Br2NO7S2
Molecular Weight685.41 g/mol
Exact Mass682.93
IUPAC Name3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-N-(4-propylsulfonylphenyl)-1-benzofuran-6-sulfonamide
SMILESCCCS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3c(C(=O)c4cc(Br)c(O)c(Br)c4)c(CC)oc3c2)cc1
InChIInChI=1S/C26H23Br2NO7S2/c1-3-11-37(32,33)17-7-5-16(6-8-17)29-38(34,35)18-9-10-19-23(14-18)36-22(4-2)24(19)25(30)15-12-20(27)26(31)21(28)13-15/h5-10,12-14,29,31H,3-4,11H2,1-2H3
InChIKeyDNSQIITVNYFNLO-UHFFFAOYSA-N
XLogP6.44
TPSA130.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.41
LogP ≤ 56.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-N-(4-propylsulfonylphenyl)-1-benzofuran-6-sulfonamide 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

N-(cyclopropylmethyl)-3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-1-benzofuran-6-sulfonamide
CID 170394311
3-(3,5-dibromo-4-hydroxybenzoyl)-2-methyl-N-phenyl-1-benzofuran-6-sulfonamide
CID 59106080
(6-bromo-2-ethyl-1-benzofuran-3-yl)-(3,5-dibromo-4-hydroxyphenyl)methanone
CID 71512090
3-(3,5-dibromo-4-hydroxybenzoyl)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1-benzofuran-6-sulfonamide
CID 59106077
(3,5-diamino-4-hydroxyphenyl)-[6-(3-phenylpropyl)-2-propyl-1-benzofuran-3-yl]methanone;(3,5-dibromo-4-hydroxyphenyl)-[6-(3-phenylpropyl)-2-propyl-1-benzofuran-3-yl]methanone;(4-hydroxy-3,5-diiodophenyl)-[6-(3-phenylpropyl)-2-propyl-1-benzofuran-3-yl]methanone
CID 159458102
[3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-5-hydroxy-1-benzofuran-6-yl] benzoate
CID 157451259
(3,5-dibromo-4-methylphenyl)-(4,7-dideuterio-2-ethyl-5,6-dihydroxy-1-benzofuran-3-yl)methanone
CID 167562014
N-(4-propylsulfonylphenyl)hydroxylamine
CID 130500550
(3-bromo-4-hydroxyphenyl)-(5-chloro-2-ethyl-1-benzofuran-3-yl)methanone
CID 71512296
methyl 2-[4-(2-ethyl-6-fluoro-1-benzofuran-3-carbonyl)anilino]acetate
CID 139644437
4-[(4-bromo-3-propoxyphenyl)sulfonylamino]benzoic acid
CID 16645073
N-(4-ethylsulfonylphenyl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 30180860

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-N-(4-propylsulfonylphenyl)-1-benzofuran-6-sulfonamide?
The IUPAC name of 3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-N-(4-propylsulfonylphenyl)-1-benzofuran-6-sulfonamide (CID 10218960) is 3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-N-(4-propylsulfonylphenyl)-1-benzofuran-6-sulfonamide.
What is the SMILES notation for 3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-N-(4-propylsulfonylphenyl)-1-benzofuran-6-sulfonamide?
The canonical SMILES for 3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-N-(4-propylsulfonylphenyl)-1-benzofuran-6-sulfonamide is CCCS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3c(C(=O)c4cc(Br)c(O)c(Br)c4)c(CC)oc3c2)cc1.
What is the InChIKey of 3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-N-(4-propylsulfonylphenyl)-1-benzofuran-6-sulfonamide?
The InChIKey is DNSQIITVNYFNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Br2NO7S2/c1-3-11-37(32,33)17-7-5-16(6-8-17)29-38(34,35)18-9-10-19-23(14-18)36-22(4-2)24(19)25(30)15-12-20(27)26(31)21(28)13-15/h5-10,12-14,29,31H,3-4,11H2,1-2H3.
What are the key properties of 3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-N-(4-propylsulfonylphenyl)-1-benzofuran-6-sulfonamide?
3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-N-(4-propylsulfonylphenyl)-1-benzofuran-6-sulfonamide has a molecular weight of 685.41 g/mol, XLogP of 6.44, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-N-(4-propylsulfonylphenyl)-1-benzofuran-6-sulfonamide is sourced from PubChem (CID 10218960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).