5-fluoro-3-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide

C21H17FN4O4S — CID 986542

IUPAC5-fluoro-3-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3oc4ccc(F)cc4c3C)cc2)n1
InChIInChI=1S/C21H17FN4O4S/c1-12-9-10-23-21(24-12)26-31(28,29)16-6-4-15(5-7-16)25-20(27)19-13(2)17-11-14(22)3-8-18(17)30-19/h3-11H,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyVHJLSHWRIKASHX-UHFFFAOYSA-N
MW440.46 g/mol
LogP4.03
Rot. Bonds5

About 5-fluoro-3-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide

5-fluoro-3-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide (PubChem CID 986542) has the molecular formula C21H17FN4O4S and a molecular weight of 440.46 g/mol. Its IUPAC name is 5-fluoro-3-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-3-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide
PubChem CID986542
Molecular FormulaC21H17FN4O4S
Molecular Weight440.46 g/mol
Exact Mass440.10
IUPAC Name5-fluoro-3-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3oc4ccc(F)cc4c3C)cc2)n1
InChIInChI=1S/C21H17FN4O4S/c1-12-9-10-23-21(24-12)26-31(28,29)16-6-4-15(5-7-16)25-20(27)19-13(2)17-11-14(22)3-8-18(17)30-19/h3-11H,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyVHJLSHWRIKASHX-UHFFFAOYSA-N
XLogP4.03
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-fluoro-3-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide (CID 986542) is 5-fluoro-3-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-fluoro-3-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-fluoro-3-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide is Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3oc4ccc(F)cc4c3C)cc2)n1.
What is the InChIKey of 5-fluoro-3-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is VHJLSHWRIKASHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O4S/c1-12-9-10-23-21(24-12)26-31(28,29)16-6-4-15(5-7-16)25-20(27)19-13(2)17-11-14(22)3-8-18(17)30-19/h3-11H,1-2H3,(H,25,27)(H,23,24,26).
What are the key properties of 5-fluoro-3-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide?
5-fluoro-3-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 440.46 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 986542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).