N-(2-amino-4-ethoxycyclobutyl)-5-fluoropyridine-3-sulfonamide

C11H16FN3O3S — CID 66196470

IUPACN-(2-amino-4-ethoxycyclobutyl)-5-fluoropyridine-3-sulfonamide
SMILESCCOC1CC(N)C1NS(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C11H16FN3O3S/c1-2-18-10-4-9(13)11(10)15-19(16,17)8-3-7(12)5-14-6-8/h3,5-6,9-11,15H,2,4,13H2,1H3
InChIKeyRFQDKDFSLRMHET-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.00
Rot. Bonds5

About N-(2-amino-4-ethoxycyclobutyl)-5-fluoropyridine-3-sulfonamide

N-(2-amino-4-ethoxycyclobutyl)-5-fluoropyridine-3-sulfonamide (PubChem CID 66196470) has the molecular formula C11H16FN3O3S and a molecular weight of 289.33 g/mol. Its IUPAC name is N-(2-amino-4-ethoxycyclobutyl)-5-fluoropyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-ethoxycyclobutyl)-5-fluoropyridine-3-sulfonamide
PubChem CID66196470
Molecular FormulaC11H16FN3O3S
Molecular Weight289.33 g/mol
Exact Mass289.09
IUPAC NameN-(2-amino-4-ethoxycyclobutyl)-5-fluoropyridine-3-sulfonamide
SMILESCCOC1CC(N)C1NS(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C11H16FN3O3S/c1-2-18-10-4-9(13)11(10)15-19(16,17)8-3-7(12)5-14-6-8/h3,5-6,9-11,15H,2,4,13H2,1H3
InChIKeyRFQDKDFSLRMHET-UHFFFAOYSA-N
XLogP0.00
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-ethoxycyclobutyl)-5-fluoropyridine-3-sulfonamide?
The IUPAC name of N-(2-amino-4-ethoxycyclobutyl)-5-fluoropyridine-3-sulfonamide (CID 66196470) is N-(2-amino-4-ethoxycyclobutyl)-5-fluoropyridine-3-sulfonamide.
What is the SMILES notation for N-(2-amino-4-ethoxycyclobutyl)-5-fluoropyridine-3-sulfonamide?
The canonical SMILES for N-(2-amino-4-ethoxycyclobutyl)-5-fluoropyridine-3-sulfonamide is CCOC1CC(N)C1NS(=O)(=O)c1cncc(F)c1.
What is the InChIKey of N-(2-amino-4-ethoxycyclobutyl)-5-fluoropyridine-3-sulfonamide?
The InChIKey is RFQDKDFSLRMHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3S/c1-2-18-10-4-9(13)11(10)15-19(16,17)8-3-7(12)5-14-6-8/h3,5-6,9-11,15H,2,4,13H2,1H3.
What are the key properties of N-(2-amino-4-ethoxycyclobutyl)-5-fluoropyridine-3-sulfonamide?
N-(2-amino-4-ethoxycyclobutyl)-5-fluoropyridine-3-sulfonamide has a molecular weight of 289.33 g/mol, XLogP of 0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-ethoxycyclobutyl)-5-fluoropyridine-3-sulfonamide is sourced from PubChem (CID 66196470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).