5-bromo-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methyl-1-benzofuran-3-carboxamide

C17H14BrFN2O4S — CID 67393824

IUPAC5-bromo-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(NS(C)(=O)=O)c(Br)cc12
InChIInChI=1S/C17H14BrFN2O4S/c1-20-17(22)15-11-7-12(18)13(21-26(2,23)24)8-14(11)25-16(15)9-3-5-10(19)6-4-9/h3-8,21H,1-2H3,(H,20,22)
InChIKeyWTZOSDMRBIVARH-UHFFFAOYSA-N
MW441.28 g/mol
LogP3.73
Rot. Bonds4

About 5-bromo-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methyl-1-benzofuran-3-carboxamide

5-bromo-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methyl-1-benzofuran-3-carboxamide (PubChem CID 67393824) has the molecular formula C17H14BrFN2O4S and a molecular weight of 441.28 g/mol. Its IUPAC name is 5-bromo-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methyl-1-benzofuran-3-carboxamide
PubChem CID67393824
Molecular FormulaC17H14BrFN2O4S
Molecular Weight441.28 g/mol
Exact Mass439.98
IUPAC Name5-bromo-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(NS(C)(=O)=O)c(Br)cc12
InChIInChI=1S/C17H14BrFN2O4S/c1-20-17(22)15-11-7-12(18)13(21-26(2,23)24)8-14(11)25-16(15)9-3-5-10(19)6-4-9/h3-8,21H,1-2H3,(H,20,22)
InChIKeyWTZOSDMRBIVARH-UHFFFAOYSA-N
XLogP3.73
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.28
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of 5-bromo-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methyl-1-benzofuran-3-carboxamide (CID 67393824) is 5-bromo-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-bromo-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-bromo-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methyl-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(NS(C)(=O)=O)c(Br)cc12.
What is the InChIKey of 5-bromo-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methyl-1-benzofuran-3-carboxamide?
The InChIKey is WTZOSDMRBIVARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN2O4S/c1-20-17(22)15-11-7-12(18)13(21-26(2,23)24)8-14(11)25-16(15)9-3-5-10(19)6-4-9/h3-8,21H,1-2H3,(H,20,22).
What are the key properties of 5-bromo-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methyl-1-benzofuran-3-carboxamide?
5-bromo-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methyl-1-benzofuran-3-carboxamide has a molecular weight of 441.28 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 67393824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).