N-[[3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-1-benzofuran-6-yl]sulfonyl]acetamide

C19H15Br2NO6S — CID 142803044

IUPACN-[[3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-1-benzofuran-6-yl]sulfonyl]acetamide
SMILESCCc1oc2cc(S(=O)(=O)NC(C)=O)ccc2c1C(=O)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C19H15Br2NO6S/c1-3-15-17(18(24)10-6-13(20)19(25)14(21)7-10)12-5-4-11(8-16(12)28-15)29(26,27)22-9(2)23/h4-8,25H,3H2,1-2H3,(H,22,23)
InChIKeyNFNZNNXPGRFDRN-UHFFFAOYSA-N
MW545.21 g/mol
LogP4.28
Rot. Bonds5

About N-[[3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-1-benzofuran-6-yl]sulfonyl]acetamide

N-[[3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-1-benzofuran-6-yl]sulfonyl]acetamide (PubChem CID 142803044) has the molecular formula C19H15Br2NO6S and a molecular weight of 545.21 g/mol. Its IUPAC name is N-[[3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-1-benzofuran-6-yl]sulfonyl]acetamide.

Molecular Properties

Compound NameN-[[3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-1-benzofuran-6-yl]sulfonyl]acetamide
PubChem CID142803044
Molecular FormulaC19H15Br2NO6S
Molecular Weight545.21 g/mol
Exact Mass542.90
IUPAC NameN-[[3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-1-benzofuran-6-yl]sulfonyl]acetamide
SMILESCCc1oc2cc(S(=O)(=O)NC(C)=O)ccc2c1C(=O)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C19H15Br2NO6S/c1-3-15-17(18(24)10-6-13(20)19(25)14(21)7-10)12-5-4-11(8-16(12)28-15)29(26,27)22-9(2)23/h4-8,25H,3H2,1-2H3,(H,22,23)
InChIKeyNFNZNNXPGRFDRN-UHFFFAOYSA-N
XLogP4.28
TPSA113.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.21
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-1-benzofuran-6-yl]sulfonyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-1-benzofuran-6-yl]sulfonyl]acetamide?
The IUPAC name of N-[[3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-1-benzofuran-6-yl]sulfonyl]acetamide (CID 142803044) is N-[[3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-1-benzofuran-6-yl]sulfonyl]acetamide.
What is the SMILES notation for N-[[3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-1-benzofuran-6-yl]sulfonyl]acetamide?
The canonical SMILES for N-[[3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-1-benzofuran-6-yl]sulfonyl]acetamide is CCc1oc2cc(S(=O)(=O)NC(C)=O)ccc2c1C(=O)c1cc(Br)c(O)c(Br)c1.
What is the InChIKey of N-[[3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-1-benzofuran-6-yl]sulfonyl]acetamide?
The InChIKey is NFNZNNXPGRFDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Br2NO6S/c1-3-15-17(18(24)10-6-13(20)19(25)14(21)7-10)12-5-4-11(8-16(12)28-15)29(26,27)22-9(2)23/h4-8,25H,3H2,1-2H3,(H,22,23).
What are the key properties of N-[[3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-1-benzofuran-6-yl]sulfonyl]acetamide?
N-[[3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-1-benzofuran-6-yl]sulfonyl]acetamide has a molecular weight of 545.21 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-1-benzofuran-6-yl]sulfonyl]acetamide is sourced from PubChem (CID 142803044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).