5-[cyclohexyl(methyl)sulfamoyl]-N-(3,4-difluorophenyl)-3-methyl-1-benzofuran-2-carboxamide

C23H24F2N2O4S — CID 4084690

IUPAC5-[cyclohexyl(methyl)sulfamoyl]-N-(3,4-difluorophenyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)c(F)c2)oc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc12
InChIInChI=1S/C23H24F2N2O4S/c1-14-18-13-17(32(29,30)27(2)16-6-4-3-5-7-16)9-11-21(18)31-22(14)23(28)26-15-8-10-19(24)20(25)12-15/h8-13,16H,3-7H2,1-2H3,(H,26,28)
InChIKeyHDSABMANLOCOAX-UHFFFAOYSA-N
MW462.52 g/mol
LogP5.22
Rot. Bonds5

About 5-[cyclohexyl(methyl)sulfamoyl]-N-(3,4-difluorophenyl)-3-methyl-1-benzofuran-2-carboxamide

5-[cyclohexyl(methyl)sulfamoyl]-N-(3,4-difluorophenyl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 4084690) has the molecular formula C23H24F2N2O4S and a molecular weight of 462.52 g/mol. Its IUPAC name is 5-[cyclohexyl(methyl)sulfamoyl]-N-(3,4-difluorophenyl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-[cyclohexyl(methyl)sulfamoyl]-N-(3,4-difluorophenyl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID4084690
Molecular FormulaC23H24F2N2O4S
Molecular Weight462.52 g/mol
Exact Mass462.14
IUPAC Name5-[cyclohexyl(methyl)sulfamoyl]-N-(3,4-difluorophenyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)c(F)c2)oc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc12
InChIInChI=1S/C23H24F2N2O4S/c1-14-18-13-17(32(29,30)27(2)16-6-4-3-5-7-16)9-11-21(18)31-22(14)23(28)26-15-8-10-19(24)20(25)12-15/h8-13,16H,3-7H2,1-2H3,(H,26,28)
InChIKeyHDSABMANLOCOAX-UHFFFAOYSA-N
XLogP5.22
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.52
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[cyclohexyl(methyl)sulfamoyl]-N-(3,4-difluorophenyl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-[cyclohexyl(methyl)sulfamoyl]-N-(3,4-difluorophenyl)-3-methyl-1-benzofuran-2-carboxamide (CID 4084690) is 5-[cyclohexyl(methyl)sulfamoyl]-N-(3,4-difluorophenyl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-[cyclohexyl(methyl)sulfamoyl]-N-(3,4-difluorophenyl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-[cyclohexyl(methyl)sulfamoyl]-N-(3,4-difluorophenyl)-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccc(F)c(F)c2)oc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc12.
What is the InChIKey of 5-[cyclohexyl(methyl)sulfamoyl]-N-(3,4-difluorophenyl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is HDSABMANLOCOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N2O4S/c1-14-18-13-17(32(29,30)27(2)16-6-4-3-5-7-16)9-11-21(18)31-22(14)23(28)26-15-8-10-19(24)20(25)12-15/h8-13,16H,3-7H2,1-2H3,(H,26,28).
What are the key properties of 5-[cyclohexyl(methyl)sulfamoyl]-N-(3,4-difluorophenyl)-3-methyl-1-benzofuran-2-carboxamide?
5-[cyclohexyl(methyl)sulfamoyl]-N-(3,4-difluorophenyl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 462.52 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclohexyl(methyl)sulfamoyl]-N-(3,4-difluorophenyl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 4084690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).