N-(7-aminooctyl)-N-(2-fluoroethyl)cyclohexanesulfonamide

C16H33FN2O2S — CID 89052023

IUPACN-(7-aminooctyl)-N-(2-fluoroethyl)cyclohexanesulfonamide
SMILESCC(N)CCCCCCN(CCF)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C16H33FN2O2S/c1-15(18)9-5-2-3-8-13-19(14-12-17)22(20,21)16-10-6-4-7-11-16/h15-16H,2-14,18H2,1H3
InChIKeyIURCKKXIYLIVRS-UHFFFAOYSA-N
MW336.52 g/mol
LogP3.22
Rot. Bonds11

About N-(7-aminooctyl)-N-(2-fluoroethyl)cyclohexanesulfonamide

N-(7-aminooctyl)-N-(2-fluoroethyl)cyclohexanesulfonamide (PubChem CID 89052023) has the molecular formula C16H33FN2O2S and a molecular weight of 336.52 g/mol. Its IUPAC name is N-(7-aminooctyl)-N-(2-fluoroethyl)cyclohexanesulfonamide.

Molecular Properties

Compound NameN-(7-aminooctyl)-N-(2-fluoroethyl)cyclohexanesulfonamide
PubChem CID89052023
Molecular FormulaC16H33FN2O2S
Molecular Weight336.52 g/mol
Exact Mass336.22
IUPAC NameN-(7-aminooctyl)-N-(2-fluoroethyl)cyclohexanesulfonamide
SMILESCC(N)CCCCCCN(CCF)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C16H33FN2O2S/c1-15(18)9-5-2-3-8-13-19(14-12-17)22(20,21)16-10-6-4-7-11-16/h15-16H,2-14,18H2,1H3
InChIKeyIURCKKXIYLIVRS-UHFFFAOYSA-N
XLogP3.22
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(7-aminooctyl)-N-(2-fluoroethyl)cyclohexanesulfonamide 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-(7-aminooctyl)-N-(2-fluoroethyl)cyclohexanesulfonamide?
The IUPAC name of N-(7-aminooctyl)-N-(2-fluoroethyl)cyclohexanesulfonamide (CID 89052023) is N-(7-aminooctyl)-N-(2-fluoroethyl)cyclohexanesulfonamide.
What is the SMILES notation for N-(7-aminooctyl)-N-(2-fluoroethyl)cyclohexanesulfonamide?
The canonical SMILES for N-(7-aminooctyl)-N-(2-fluoroethyl)cyclohexanesulfonamide is CC(N)CCCCCCN(CCF)S(=O)(=O)C1CCCCC1.
What is the InChIKey of N-(7-aminooctyl)-N-(2-fluoroethyl)cyclohexanesulfonamide?
The InChIKey is IURCKKXIYLIVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33FN2O2S/c1-15(18)9-5-2-3-8-13-19(14-12-17)22(20,21)16-10-6-4-7-11-16/h15-16H,2-14,18H2,1H3.
What are the key properties of N-(7-aminooctyl)-N-(2-fluoroethyl)cyclohexanesulfonamide?
N-(7-aminooctyl)-N-(2-fluoroethyl)cyclohexanesulfonamide has a molecular weight of 336.52 g/mol, XLogP of 3.22, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-aminooctyl)-N-(2-fluoroethyl)cyclohexanesulfonamide is sourced from PubChem (CID 89052023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).