3-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-fluorobenzenesulfonamide

C15H21FN2O2S — CID 43105051

IUPAC3-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-fluorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(F)c(N)c1)C1CC2CCC1C2
InChIInChI=1S/C15H21FN2O2S/c1-9(13-7-10-2-3-11(13)6-10)18-21(19,20)12-4-5-14(16)15(17)8-12/h4-5,8-11,13,18H,2-3,6-7,17H2,1H3
InChIKeyHQLOZLNDMKMKTM-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.51
Rot. Bonds4

About 3-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-fluorobenzenesulfonamide

3-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-fluorobenzenesulfonamide (PubChem CID 43105051) has the molecular formula C15H21FN2O2S and a molecular weight of 312.41 g/mol. Its IUPAC name is 3-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-fluorobenzenesulfonamide
PubChem CID43105051
Molecular FormulaC15H21FN2O2S
Molecular Weight312.41 g/mol
Exact Mass312.13
IUPAC Name3-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-fluorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(F)c(N)c1)C1CC2CCC1C2
InChIInChI=1S/C15H21FN2O2S/c1-9(13-7-10-2-3-11(13)6-10)18-21(19,20)12-4-5-14(16)15(17)8-12/h4-5,8-11,13,18H,2-3,6-7,17H2,1H3
InChIKeyHQLOZLNDMKMKTM-UHFFFAOYSA-N
XLogP2.51
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-fluorobenzenesulfonamide 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 3-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-fluorobenzenesulfonamide?
The IUPAC name of 3-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-fluorobenzenesulfonamide (CID 43105051) is 3-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-fluorobenzenesulfonamide is CC(NS(=O)(=O)c1ccc(F)c(N)c1)C1CC2CCC1C2.
What is the InChIKey of 3-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-fluorobenzenesulfonamide?
The InChIKey is HQLOZLNDMKMKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2S/c1-9(13-7-10-2-3-11(13)6-10)18-21(19,20)12-4-5-14(16)15(17)8-12/h4-5,8-11,13,18H,2-3,6-7,17H2,1H3.
What are the key properties of 3-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-fluorobenzenesulfonamide?
3-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-fluorobenzenesulfonamide has a molecular weight of 312.41 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 43105051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).