3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-5-fluorobenzenesulfonamide

C13H15FN2O3S — CID 65389245

IUPAC3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-5-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)cc(C(=O)N2CC3CCC2C3)c1
InChIInChI=1S/C13H15FN2O3S/c14-10-4-9(5-12(6-10)20(15,18)19)13(17)16-7-8-1-2-11(16)3-8/h4-6,8,11H,1-3,7H2,(H2,15,18,19)
InChIKeyIBFVKTBHKSCXEU-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.10
Rot. Bonds2

About 3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-5-fluorobenzenesulfonamide

3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-5-fluorobenzenesulfonamide (PubChem CID 65389245) has the molecular formula C13H15FN2O3S and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-5-fluorobenzenesulfonamide
PubChem CID65389245
Molecular FormulaC13H15FN2O3S
Molecular Weight298.34 g/mol
Exact Mass298.08
IUPAC Name3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-5-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)cc(C(=O)N2CC3CCC2C3)c1
InChIInChI=1S/C13H15FN2O3S/c14-10-4-9(5-12(6-10)20(15,18)19)13(17)16-7-8-1-2-11(16)3-8/h4-6,8,11H,1-3,7H2,(H2,15,18,19)
InChIKeyIBFVKTBHKSCXEU-UHFFFAOYSA-N
XLogP1.10
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-4-fluoro-5-methylbenzenesulfonamide
CID 81481834
4-(2-azabicyclo[2.2.1]heptane-2-carbonyl)thiophene-2-sulfonamide
CID 62223272
5-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-2-bromo-3-chlorobenzenesulfonamide
CID 81292020
3-(3,4-dimethylpyrrolidine-1-carbonyl)-5-fluorobenzenesulfonamide
CID 79186833
2-azabicyclo[2.2.1]heptan-2-yl-(4-methylsulfonylphenyl)methanone
CID 47318080
2-azabicyclo[2.2.1]heptan-2-yl-(4-fluoro-3-sulfanylphenyl)methanone
CID 107025937
5-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-2,3-dichlorobenzenesulfonyl chloride
CID 65371965
N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide
CID 65374096
4-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonane-6-carbonyl]benzenesulfonamide
CID 70722110
2-azabicyclo[2.2.1]heptan-2-yl-(4-hydrazinylphenyl)methanone
CID 62248377
3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-4-fluoro-5-methylbenzenesulfonyl chloride
CID 81481969
5-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-2-chloro-4-fluorobenzenesulfonyl chloride
CID 65372148

Frequently Asked Questions

What is the IUPAC name of 3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-5-fluorobenzenesulfonamide?
The IUPAC name of 3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-5-fluorobenzenesulfonamide (CID 65389245) is 3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-5-fluorobenzenesulfonamide.
What is the SMILES notation for 3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-5-fluorobenzenesulfonamide?
The canonical SMILES for 3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-5-fluorobenzenesulfonamide is NS(=O)(=O)c1cc(F)cc(C(=O)N2CC3CCC2C3)c1.
What is the InChIKey of 3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-5-fluorobenzenesulfonamide?
The InChIKey is IBFVKTBHKSCXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3S/c14-10-4-9(5-12(6-10)20(15,18)19)13(17)16-7-8-1-2-11(16)3-8/h4-6,8,11H,1-3,7H2,(H2,15,18,19).
What are the key properties of 3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-5-fluorobenzenesulfonamide?
3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-5-fluorobenzenesulfonamide has a molecular weight of 298.34 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-5-fluorobenzenesulfonamide is sourced from PubChem (CID 65389245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).