N-(4-bromo-2-fluorophenyl)-5-(diethylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide

C20H20BrFN2O4S — CID 4246541

IUPACN-(4-bromo-2-fluorophenyl)-5-(diethylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2oc(C(=O)Nc3ccc(Br)cc3F)c(C)c2c1
InChIInChI=1S/C20H20BrFN2O4S/c1-4-24(5-2)29(26,27)14-7-9-18-15(11-14)12(3)19(28-18)20(25)23-17-8-6-13(21)10-16(17)22/h6-11H,4-5H2,1-3H3,(H,23,25)
InChIKeyWBSJBKQUCWBFIH-UHFFFAOYSA-N
MW483.36 g/mol
LogP4.93
Rot. Bonds6

About N-(4-bromo-2-fluorophenyl)-5-(diethylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide

N-(4-bromo-2-fluorophenyl)-5-(diethylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 4246541) has the molecular formula C20H20BrFN2O4S and a molecular weight of 483.36 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-5-(diethylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-5-(diethylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID4246541
Molecular FormulaC20H20BrFN2O4S
Molecular Weight483.36 g/mol
Exact Mass482.03
IUPAC NameN-(4-bromo-2-fluorophenyl)-5-(diethylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2oc(C(=O)Nc3ccc(Br)cc3F)c(C)c2c1
InChIInChI=1S/C20H20BrFN2O4S/c1-4-24(5-2)29(26,27)14-7-9-18-15(11-14)12(3)19(28-18)20(25)23-17-8-6-13(21)10-16(17)22/h6-11H,4-5H2,1-3H3,(H,23,25)
InChIKeyWBSJBKQUCWBFIH-UHFFFAOYSA-N
XLogP4.93
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.36
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 55343089
N-(4-bromo-2-fluorophenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344702
5-(diethylsulfamoyl)-N-(4-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4048386
N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7928997
5-(diethylsulfamoyl)-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 5240838
N-benzyl-5-(diethylsulfamoyl)-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 15987906
5-bromo-3-methyl-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
CID 35181529
N-(2,4-difluorophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 7770031
5-(dibutylsulfamoyl)-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4081908
methyl 4-[(5-bromo-3-methyl-1-benzofuran-2-carbonyl)amino]-3-methylbenzoate
CID 36930678
5-chloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 31618564
N-(4-bromo-2-fluorophenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 17469619

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-5-(diethylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-5-(diethylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide (CID 4246541) is N-(4-bromo-2-fluorophenyl)-5-(diethylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-5-(diethylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-5-(diethylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide is CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)Nc3ccc(Br)cc3F)c(C)c2c1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-5-(diethylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is WBSJBKQUCWBFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrFN2O4S/c1-4-24(5-2)29(26,27)14-7-9-18-15(11-14)12(3)19(28-18)20(25)23-17-8-6-13(21)10-16(17)22/h6-11H,4-5H2,1-3H3,(H,23,25).
What are the key properties of N-(4-bromo-2-fluorophenyl)-5-(diethylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide?
N-(4-bromo-2-fluorophenyl)-5-(diethylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 483.36 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-5-(diethylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 4246541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).