N-[1-(2-adamantyl)ethyl]-4-fluorobenzenesulfonamide

C18H24FNO2S — CID 2887522

IUPACN-[1-(2-adamantyl)ethyl]-4-fluorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(F)cc1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H24FNO2S/c1-11(20-23(21,22)17-4-2-16(19)3-5-17)18-14-7-12-6-13(9-14)10-15(18)8-12/h2-5,11-15,18,20H,6-10H2,1H3
InChIKeyFZAKIGJHBMFHGL-UHFFFAOYSA-N
MW337.46 g/mol
LogP3.56
Rot. Bonds4

About N-[1-(2-adamantyl)ethyl]-4-fluorobenzenesulfonamide

N-[1-(2-adamantyl)ethyl]-4-fluorobenzenesulfonamide (PubChem CID 2887522) has the molecular formula C18H24FNO2S and a molecular weight of 337.46 g/mol. Its IUPAC name is N-[1-(2-adamantyl)ethyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2-adamantyl)ethyl]-4-fluorobenzenesulfonamide
PubChem CID2887522
Molecular FormulaC18H24FNO2S
Molecular Weight337.46 g/mol
Exact Mass337.15
IUPAC NameN-[1-(2-adamantyl)ethyl]-4-fluorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(F)cc1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H24FNO2S/c1-11(20-23(21,22)17-4-2-16(19)3-5-17)18-14-7-12-6-13(9-14)10-15(18)8-12/h2-5,11-15,18,20H,6-10H2,1H3
InChIKeyFZAKIGJHBMFHGL-UHFFFAOYSA-N
XLogP3.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-adamantyl)ethyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[1-(2-adamantyl)ethyl]-4-fluorobenzenesulfonamide (CID 2887522) is N-[1-(2-adamantyl)ethyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[1-(2-adamantyl)ethyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[1-(2-adamantyl)ethyl]-4-fluorobenzenesulfonamide is CC(NS(=O)(=O)c1ccc(F)cc1)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[1-(2-adamantyl)ethyl]-4-fluorobenzenesulfonamide?
The InChIKey is FZAKIGJHBMFHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO2S/c1-11(20-23(21,22)17-4-2-16(19)3-5-17)18-14-7-12-6-13(9-14)10-15(18)8-12/h2-5,11-15,18,20H,6-10H2,1H3.
What are the key properties of N-[1-(2-adamantyl)ethyl]-4-fluorobenzenesulfonamide?
N-[1-(2-adamantyl)ethyl]-4-fluorobenzenesulfonamide has a molecular weight of 337.46 g/mol, XLogP of 3.56, 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]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 2887522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).