5-fluoro-2-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide

C14H19FN2O3S — CID 106072803

IUPAC5-fluoro-2-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
SMILESCNCc1ccc(F)cc1S(=O)(=O)NC1CC2CCC1O2
InChIInChI=1S/C14H19FN2O3S/c1-16-8-9-2-3-10(15)6-14(9)21(18,19)17-12-7-11-4-5-13(12)20-11/h2-3,6,11-13,16-17H,4-5,7-8H2,1H3
InChIKeyPTORGFMLWDGPRQ-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.14
Rot. Bonds5

About 5-fluoro-2-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide

5-fluoro-2-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide (PubChem CID 106072803) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is 5-fluoro-2-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
PubChem CID106072803
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC Name5-fluoro-2-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
SMILESCNCc1ccc(F)cc1S(=O)(=O)NC1CC2CCC1O2
InChIInChI=1S/C14H19FN2O3S/c1-16-8-9-2-3-10(15)6-14(9)21(18,19)17-12-7-11-4-5-13(12)20-11/h2-3,6,11-13,16-17H,4-5,7-8H2,1H3
InChIKeyPTORGFMLWDGPRQ-UHFFFAOYSA-N
XLogP1.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
CID 106072868
2-fluoro-5-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
CID 106072741
5-fluoro-N-(2-methoxycyclopentyl)-2-(methylaminomethyl)benzenesulfonamide
CID 102920705
5-fluoro-2-(methylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 102920876
3-amino-4-ethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
CID 80714763
5-fluoro-2-(methylaminomethyl)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 102920994
5-amino-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
CID 80715264
1-ethyl-5-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrrole-3-sulfonamide
CID 106072874
2-bromo-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
CID 80602182
5-fluoro-2-(methylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 106071622
2-amino-5-bromo-4-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
CID 106491942
4-amino-2-bromo-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
CID 80715756

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide?
The IUPAC name of 5-fluoro-2-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide (CID 106072803) is 5-fluoro-2-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide is CNCc1ccc(F)cc1S(=O)(=O)NC1CC2CCC1O2.
What is the InChIKey of 5-fluoro-2-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide?
The InChIKey is PTORGFMLWDGPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c1-16-8-9-2-3-10(15)6-14(9)21(18,19)17-12-7-11-4-5-13(12)20-11/h2-3,6,11-13,16-17H,4-5,7-8H2,1H3.
What are the key properties of 5-fluoro-2-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide?
5-fluoro-2-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide has a molecular weight of 314.38 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106072803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).