N-[1-(1-adamantyl)ethyl]-4-ethylbenzenesulfonamide

C20H29NO2S — CID 19681569

IUPACN-[1-(1-adamantyl)ethyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC(C)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C20H29NO2S/c1-3-15-4-6-19(7-5-15)24(22,23)21-14(2)20-11-16-8-17(12-20)10-18(9-16)13-20/h4-7,14,16-18,21H,3,8-13H2,1-2H3
InChIKeyILFINQKFGYZGHQ-UHFFFAOYSA-N
MW347.52 g/mol
LogP4.13
Rot. Bonds5

About N-[1-(1-adamantyl)ethyl]-4-ethylbenzenesulfonamide

N-[1-(1-adamantyl)ethyl]-4-ethylbenzenesulfonamide (PubChem CID 19681569) has the molecular formula C20H29NO2S and a molecular weight of 347.52 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-4-ethylbenzenesulfonamide
PubChem CID19681569
Molecular FormulaC20H29NO2S
Molecular Weight347.52 g/mol
Exact Mass347.19
IUPAC NameN-[1-(1-adamantyl)ethyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC(C)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C20H29NO2S/c1-3-15-4-6-19(7-5-15)24(22,23)21-14(2)20-11-16-8-17(12-20)10-18(9-16)13-20/h4-7,14,16-18,21H,3,8-13H2,1-2H3
InChIKeyILFINQKFGYZGHQ-UHFFFAOYSA-N
XLogP4.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.52
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-4-ethylbenzenesulfonamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-4-ethylbenzenesulfonamide (CID 19681569) is N-[1-(1-adamantyl)ethyl]-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-4-ethylbenzenesulfonamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)NC(C)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-4-ethylbenzenesulfonamide?
The InChIKey is ILFINQKFGYZGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2S/c1-3-15-4-6-19(7-5-15)24(22,23)21-14(2)20-11-16-8-17(12-20)10-18(9-16)13-20/h4-7,14,16-18,21H,3,8-13H2,1-2H3.
What are the key properties of N-[1-(1-adamantyl)ethyl]-4-ethylbenzenesulfonamide?
N-[1-(1-adamantyl)ethyl]-4-ethylbenzenesulfonamide has a molecular weight of 347.52 g/mol, XLogP of 4.13, 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]-4-ethylbenzenesulfonamide is sourced from PubChem (CID 19681569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).