5-bromo-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide

C20H20BrClN2O4S — CID 55343089

IUPAC5-bromo-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2oc3ccc(Br)cc3c2C)c1
InChIInChI=1S/C20H20BrClN2O4S/c1-4-24(5-2)29(26,27)14-7-8-16(22)17(11-14)23-20(25)19-12(3)15-10-13(21)6-9-18(15)28-19/h6-11H,4-5H2,1-3H3,(H,23,25)
InChIKeyPVTOYEKECZMAOQ-UHFFFAOYSA-N
MW499.81 g/mol
LogP5.44
Rot. Bonds6

About 5-bromo-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide

5-bromo-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 55343089) has the molecular formula C20H20BrClN2O4S and a molecular weight of 499.81 g/mol. Its IUPAC name is 5-bromo-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID55343089
Molecular FormulaC20H20BrClN2O4S
Molecular Weight499.81 g/mol
Exact Mass498.00
IUPAC Name5-bromo-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2oc3ccc(Br)cc3c2C)c1
InChIInChI=1S/C20H20BrClN2O4S/c1-4-24(5-2)29(26,27)14-7-8-16(22)17(11-14)23-20(25)19-12(3)15-10-13(21)6-9-18(15)28-19/h6-11H,4-5H2,1-3H3,(H,23,25)
InChIKeyPVTOYEKECZMAOQ-UHFFFAOYSA-N
XLogP5.44
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.81
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide 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-(4-bromo-2-fluorophenyl)-5-(diethylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4246541
N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7928997
methyl 3-[(5-bromo-3-methyl-1-benzofuran-2-carbonyl)amino]-4-chlorobenzoate
CID 18273257
5-(diethylsulfamoyl)-N-(4-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4048386
2-(4-bromophenyl)sulfanyl-N-[2-chloro-5-(diethylsulfamoyl)phenyl]acetamide
CID 4549177
5-chloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 31618564
N-[2-chloro-5-(diethylsulfamoyl)phenyl]pyridine-4-carboxamide
CID 2963512
N-(3-chloro-4-methoxyphenyl)-5-(dibutylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4081907
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-4-propan-2-ylsulfonylbenzamide
CID 55752915
5-(diethylsulfamoyl)-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 5240838
5-bromo-3-methyl-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
CID 35181529
5-bromo-N-(4-ethoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 3601277

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide (CID 55343089) is 5-bromo-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2oc3ccc(Br)cc3c2C)c1.
What is the InChIKey of 5-bromo-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is PVTOYEKECZMAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrClN2O4S/c1-4-24(5-2)29(26,27)14-7-8-16(22)17(11-14)23-20(25)19-12(3)15-10-13(21)6-9-18(15)28-19/h6-11H,4-5H2,1-3H3,(H,23,25).
What are the key properties of 5-bromo-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide?
5-bromo-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 499.81 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55343089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).