5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

C25H25FN2O5S — CID 41080971

About 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (PubChem CID 41080971) has the molecular formula C25H25FN2O5S and a molecular weight of 484.55 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.

Molecular Properties

• Compound Name: 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
• PubChem CID: 41080971
• Molecular Formula: C25H25FN2O5S
• Molecular Weight: 484.55 g/mol
• Exact Mass: 484.15
• IUPAC Name: 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
• SMILES: COc1cc(S(=O)(=O)Nc2ccccc2F)cc(C(=O)N[C@@H]2CCCc3ccccc32)c1OC
• InChI: InChI=1S/C25H25FN2O5S/c1-32-23-15-17(34(30,31)28-22-12-6-5-11-20(22)26)14-19(24(23)33-2)25(29)27-21-13-7-9-16-8-3-4-10-18(16)21/h3-6,8,10-12,14-15,21,28H,7,9,13H2,1-2H3,(H,27,29)/t21-/m1/s1
• InChIKey: KRZRAPFZLYJPJD-OAQYLSRUSA-N
• XLogP: 4.45
• TPSA: 93.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.55
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?

The IUPAC name of 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (CID 41080971) is 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.

What is the SMILES notation for 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?

The canonical SMILES for 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is COc1cc(S(=O)(=O)Nc2ccccc2F)cc(C(=O)N[C@@H]2CCCc3ccccc32)c1OC.

What is the InChIKey of 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?

The InChIKey is KRZRAPFZLYJPJD-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H25FN2O5S/c1-32-23-15-17(34(30,31)28-22-12-6-5-11-20(22)26)14-19(24(23)33-2)25(29)27-21-13-7-9-16-8-3-4-10-18(16)21/h3-6,8,10-12,14-15,21,28H,7,9,13H2,1-2H3,(H,27,29)/t21-/m1/s1.

What are the key properties of 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?

5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide has a molecular weight of 484.55 g/mol, XLogP of 4.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is sourced from PubChem (CID 41080971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).