N-[1-(2-adamantyl)ethyl]-2,5-dichlorobenzenesulfonamide

C18H23Cl2NO2S — CID 25038871

IUPACN-[1-(2-adamantyl)ethyl]-2,5-dichlorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(Cl)ccc1Cl)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H23Cl2NO2S/c1-10(18-13-5-11-4-12(7-13)8-14(18)6-11)21-24(22,23)17-9-15(19)2-3-16(17)20/h2-3,9-14,18,21H,4-8H2,1H3
InChIKeyLQUFCEUDMUETCU-UHFFFAOYSA-N
MW388.36 g/mol
LogP4.73
Rot. Bonds4

About N-[1-(2-adamantyl)ethyl]-2,5-dichlorobenzenesulfonamide

N-[1-(2-adamantyl)ethyl]-2,5-dichlorobenzenesulfonamide (PubChem CID 25038871) has the molecular formula C18H23Cl2NO2S and a molecular weight of 388.36 g/mol. Its IUPAC name is N-[1-(2-adamantyl)ethyl]-2,5-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2-adamantyl)ethyl]-2,5-dichlorobenzenesulfonamide
PubChem CID25038871
Molecular FormulaC18H23Cl2NO2S
Molecular Weight388.36 g/mol
Exact Mass387.08
IUPAC NameN-[1-(2-adamantyl)ethyl]-2,5-dichlorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(Cl)ccc1Cl)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H23Cl2NO2S/c1-10(18-13-5-11-4-12(7-13)8-14(18)6-11)21-24(22,23)17-9-15(19)2-3-16(17)20/h2-3,9-14,18,21H,4-8H2,1H3
InChIKeyLQUFCEUDMUETCU-UHFFFAOYSA-N
XLogP4.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.36
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(2-adamantyl)ethyl]-2,5-dichlorobenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(1S)-1-(2-adamantyl)ethyl]-2,4,5-trichlorobenzenesulfonamide
CID 40845451
2,5-dichloro-N-[(2S)-1-methoxypropan-2-yl]benzenesulfonamide
CID 670298
2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide
CID 121010955
2,5-dichloro-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22201161
N-but-3-yn-2-yl-2,5-dichlorobenzenesulfonamide
CID 114419120
2,5-dichloro-N-pentan-2-ylbenzenesulfonamide
CID 2886118
2,5-dichloro-N-[(2R)-pentan-2-yl]benzenesulfonamide
CID 788817
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2,5-dichlorobenzenesulfonamide
CID 6980060
2,5-dichloro-N-(1-hydrazinyl-1-oxopropan-2-yl)benzenesulfonamide
CID 4320202
2,5-dichloro-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide
CID 92547466
2,5-dichloro-N-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
CID 126392685
2,5-dichloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 45147167

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-adamantyl)ethyl]-2,5-dichlorobenzenesulfonamide?
The IUPAC name of N-[1-(2-adamantyl)ethyl]-2,5-dichlorobenzenesulfonamide (CID 25038871) is N-[1-(2-adamantyl)ethyl]-2,5-dichlorobenzenesulfonamide.
What is the SMILES notation for N-[1-(2-adamantyl)ethyl]-2,5-dichlorobenzenesulfonamide?
The canonical SMILES for N-[1-(2-adamantyl)ethyl]-2,5-dichlorobenzenesulfonamide is CC(NS(=O)(=O)c1cc(Cl)ccc1Cl)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[1-(2-adamantyl)ethyl]-2,5-dichlorobenzenesulfonamide?
The InChIKey is LQUFCEUDMUETCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl2NO2S/c1-10(18-13-5-11-4-12(7-13)8-14(18)6-11)21-24(22,23)17-9-15(19)2-3-16(17)20/h2-3,9-14,18,21H,4-8H2,1H3.
What are the key properties of N-[1-(2-adamantyl)ethyl]-2,5-dichlorobenzenesulfonamide?
N-[1-(2-adamantyl)ethyl]-2,5-dichlorobenzenesulfonamide has a molecular weight of 388.36 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-adamantyl)ethyl]-2,5-dichlorobenzenesulfonamide is sourced from PubChem (CID 25038871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).