N-(4-aminocyclohexyl)-N-ethyl-5-fluoropyridine-3-sulfonamide

C13H20FN3O2S — CID 79115776

IUPACN-(4-aminocyclohexyl)-N-ethyl-5-fluoropyridine-3-sulfonamide
SMILESCCN(C1CCC(N)CC1)S(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C13H20FN3O2S/c1-2-17(12-5-3-11(15)4-6-12)20(18,19)13-7-10(14)8-16-9-13/h7-9,11-12H,2-6,15H2,1H3
InChIKeyJOBSGZOYMNHAPE-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.50
Rot. Bonds4

About N-(4-aminocyclohexyl)-N-ethyl-5-fluoropyridine-3-sulfonamide

N-(4-aminocyclohexyl)-N-ethyl-5-fluoropyridine-3-sulfonamide (PubChem CID 79115776) has the molecular formula C13H20FN3O2S and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-N-ethyl-5-fluoropyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-N-ethyl-5-fluoropyridine-3-sulfonamide
PubChem CID79115776
Molecular FormulaC13H20FN3O2S
Molecular Weight301.39 g/mol
Exact Mass301.13
IUPAC NameN-(4-aminocyclohexyl)-N-ethyl-5-fluoropyridine-3-sulfonamide
SMILESCCN(C1CCC(N)CC1)S(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C13H20FN3O2S/c1-2-17(12-5-3-11(15)4-6-12)20(18,19)13-7-10(14)8-16-9-13/h7-9,11-12H,2-6,15H2,1H3
InChIKeyJOBSGZOYMNHAPE-UHFFFAOYSA-N
XLogP1.50
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-N-ethyl-5-fluoropyridine-3-sulfonamide?
The IUPAC name of N-(4-aminocyclohexyl)-N-ethyl-5-fluoropyridine-3-sulfonamide (CID 79115776) is N-(4-aminocyclohexyl)-N-ethyl-5-fluoropyridine-3-sulfonamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-N-ethyl-5-fluoropyridine-3-sulfonamide?
The canonical SMILES for N-(4-aminocyclohexyl)-N-ethyl-5-fluoropyridine-3-sulfonamide is CCN(C1CCC(N)CC1)S(=O)(=O)c1cncc(F)c1.
What is the InChIKey of N-(4-aminocyclohexyl)-N-ethyl-5-fluoropyridine-3-sulfonamide?
The InChIKey is JOBSGZOYMNHAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2S/c1-2-17(12-5-3-11(15)4-6-12)20(18,19)13-7-10(14)8-16-9-13/h7-9,11-12H,2-6,15H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-N-ethyl-5-fluoropyridine-3-sulfonamide?
N-(4-aminocyclohexyl)-N-ethyl-5-fluoropyridine-3-sulfonamide has a molecular weight of 301.39 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-N-ethyl-5-fluoropyridine-3-sulfonamide is sourced from PubChem (CID 79115776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).