6-(ethylsulfonylamino)-5-(6-fluoro-16-hydroxy-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-12-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide

C32H24F2N4O5S — CID 118573600

About 6-(ethylsulfonylamino)-5-(6-fluoro-16-hydroxy-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-12-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide

6-(ethylsulfonylamino)-5-(6-fluoro-16-hydroxy-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-12-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide (PubChem CID 118573600) has the molecular formula C32H24F2N4O5S and a molecular weight of 614.63 g/mol. Its IUPAC name is 6-(ethylsulfonylamino)-5-(6-fluoro-16-hydroxy-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-12-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 6-(ethylsulfonylamino)-5-(6-fluoro-16-hydroxy-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-12-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
• PubChem CID: 118573600
• Molecular Formula: C32H24F2N4O5S
• Molecular Weight: 614.63 g/mol
• Exact Mass: 614.14
• IUPAC Name: 6-(ethylsulfonylamino)-5-(6-fluoro-16-hydroxy-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-12-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
• SMILES: CCS(=O)(=O)Nc1cc2oc(-c3ccc(F)cc3)c(C(=O)NC)c2cc1-c1ccc2c(n1)-c1cc3c(F)cccc3n1C2O
• InChI: InChI=1S/C32H24F2N4O5S/c1-3-44(41,42)37-24-15-27-21(28(31(39)35-2)30(43-27)16-7-9-17(33)10-8-16)13-20(24)23-12-11-18-29(36-23)26-14-19-22(34)5-4-6-25(19)38(26)32(18)40/h4-15,32,37,40H,3H2,1-2H3,(H,35,39)
• InChIKey: CPRNTCVIKQMSRZ-UHFFFAOYSA-N
• XLogP: 6.04
• TPSA: 126.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	614.63
LogP ≤ 5	6.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(ethylsulfonylamino)-5-(6-fluoro-16-hydroxy-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-12-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide?

The IUPAC name of 6-(ethylsulfonylamino)-5-(6-fluoro-16-hydroxy-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-12-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide (CID 118573600) is 6-(ethylsulfonylamino)-5-(6-fluoro-16-hydroxy-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-12-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide.

What is the SMILES notation for 6-(ethylsulfonylamino)-5-(6-fluoro-16-hydroxy-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-12-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide?

The canonical SMILES for 6-(ethylsulfonylamino)-5-(6-fluoro-16-hydroxy-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-12-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide is CCS(=O)(=O)Nc1cc2oc(-c3ccc(F)cc3)c(C(=O)NC)c2cc1-c1ccc2c(n1)-c1cc3c(F)cccc3n1C2O.

What is the InChIKey of 6-(ethylsulfonylamino)-5-(6-fluoro-16-hydroxy-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-12-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide?

The InChIKey is CPRNTCVIKQMSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24F2N4O5S/c1-3-44(41,42)37-24-15-27-21(28(31(39)35-2)30(43-27)16-7-9-17(33)10-8-16)13-20(24)23-12-11-18-29(36-23)26-14-19-22(34)5-4-6-25(19)38(26)32(18)40/h4-15,32,37,40H,3H2,1-2H3,(H,35,39).

What are the key properties of 6-(ethylsulfonylamino)-5-(6-fluoro-16-hydroxy-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-12-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide?

6-(ethylsulfonylamino)-5-(6-fluoro-16-hydroxy-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-12-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide has a molecular weight of 614.63 g/mol, XLogP of 6.04, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(ethylsulfonylamino)-5-(6-fluoro-16-hydroxy-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-12-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 118573600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).