4-(1-adamantylsulfamoyl)-N-(4-fluorophenyl)benzamide

C23H25FN2O3S — CID 3193331

IUPAC4-(1-adamantylsulfamoyl)-N-(4-fluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C23H25FN2O3S/c24-19-3-5-20(6-4-19)25-22(27)18-1-7-21(8-2-18)30(28,29)26-23-12-15-9-16(13-23)11-17(10-15)14-23/h1-8,15-17,26H,9-14H2,(H,25,27)
InChIKeyNZJOBAIFRCATBX-UHFFFAOYSA-N
MW428.53 g/mol
LogP4.33
Rot. Bonds5

About 4-(1-adamantylsulfamoyl)-N-(4-fluorophenyl)benzamide

4-(1-adamantylsulfamoyl)-N-(4-fluorophenyl)benzamide (PubChem CID 3193331) has the molecular formula C23H25FN2O3S and a molecular weight of 428.53 g/mol. Its IUPAC name is 4-(1-adamantylsulfamoyl)-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound Name4-(1-adamantylsulfamoyl)-N-(4-fluorophenyl)benzamide
PubChem CID3193331
Molecular FormulaC23H25FN2O3S
Molecular Weight428.53 g/mol
Exact Mass428.16
IUPAC Name4-(1-adamantylsulfamoyl)-N-(4-fluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C23H25FN2O3S/c24-19-3-5-20(6-4-19)25-22(27)18-1-7-21(8-2-18)30(28,29)26-23-12-15-9-16(13-23)11-17(10-15)14-23/h1-8,15-17,26H,9-14H2,(H,25,27)
InChIKeyNZJOBAIFRCATBX-UHFFFAOYSA-N
XLogP4.33
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(1-adamantylsulfamoyl)-N-(4-fluorophenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1-adamantylsulfamoyl)-N-(4-fluorophenyl)benzamide?
The IUPAC name of 4-(1-adamantylsulfamoyl)-N-(4-fluorophenyl)benzamide (CID 3193331) is 4-(1-adamantylsulfamoyl)-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for 4-(1-adamantylsulfamoyl)-N-(4-fluorophenyl)benzamide?
The canonical SMILES for 4-(1-adamantylsulfamoyl)-N-(4-fluorophenyl)benzamide is O=C(Nc1ccc(F)cc1)c1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 4-(1-adamantylsulfamoyl)-N-(4-fluorophenyl)benzamide?
The InChIKey is NZJOBAIFRCATBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3S/c24-19-3-5-20(6-4-19)25-22(27)18-1-7-21(8-2-18)30(28,29)26-23-12-15-9-16(13-23)11-17(10-15)14-23/h1-8,15-17,26H,9-14H2,(H,25,27).
What are the key properties of 4-(1-adamantylsulfamoyl)-N-(4-fluorophenyl)benzamide?
4-(1-adamantylsulfamoyl)-N-(4-fluorophenyl)benzamide has a molecular weight of 428.53 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-adamantylsulfamoyl)-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 3193331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).