N-[1-(1-adamantyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide

C19H26FNO2S — CID 55529864

IUPACN-[1-(1-adamantyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
SMILESCC(NS(=O)(=O)Cc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H26FNO2S/c1-13(19-9-15-6-16(10-19)8-17(7-15)11-19)21-24(22,23)12-14-2-4-18(20)5-3-14/h2-5,13,15-17,21H,6-12H2,1H3
InChIKeyVNFAESBXFBTFAI-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.85
Rot. Bonds5

About N-[1-(1-adamantyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide

N-[1-(1-adamantyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide (PubChem CID 55529864) has the molecular formula C19H26FNO2S and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
PubChem CID55529864
Molecular FormulaC19H26FNO2S
Molecular Weight351.49 g/mol
Exact Mass351.17
IUPAC NameN-[1-(1-adamantyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
SMILESCC(NS(=O)(=O)Cc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H26FNO2S/c1-13(19-9-15-6-16(10-19)8-17(7-15)11-19)21-24(22,23)12-14-2-4-18(20)5-3-14/h2-5,13,15-17,21H,6-12H2,1H3
InChIKeyVNFAESBXFBTFAI-UHFFFAOYSA-N
XLogP3.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(1-adamantyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide 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 N-[1-(1-adamantyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide (CID 55529864) is N-[1-(1-adamantyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide is CC(NS(=O)(=O)Cc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide?
The InChIKey is VNFAESBXFBTFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO2S/c1-13(19-9-15-6-16(10-19)8-17(7-15)11-19)21-24(22,23)12-14-2-4-18(20)5-3-14/h2-5,13,15-17,21H,6-12H2,1H3.
What are the key properties of N-[1-(1-adamantyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide?
N-[1-(1-adamantyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide has a molecular weight of 351.49 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 55529864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).