N-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-sulfonamide;hydrochloride

C13H21ClFN3O2S — CID 119983682

IUPACN-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-sulfonamide;hydrochloride
SMILESCl.NCC(NS(=O)(=O)c1cncc(F)c1)C1CCCCC1
InChIInChI=1S/C13H20FN3O2S.ClH/c14-11-6-12(9-16-8-11)20(18,19)17-13(7-15)10-4-2-1-3-5-10;/h6,8-10,13,17H,1-5,7,15H2;1H
InChIKeyKVBOUAUABARTJQ-UHFFFAOYSA-N
MW337.85 g/mol
LogP1.83
Rot. Bonds5

About N-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-sulfonamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-sulfonamide;hydrochloride (PubChem CID 119983682) has the molecular formula C13H21ClFN3O2S and a molecular weight of 337.85 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-sulfonamide;hydrochloride
PubChem CID119983682
Molecular FormulaC13H21ClFN3O2S
Molecular Weight337.85 g/mol
Exact Mass337.10
IUPAC NameN-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-sulfonamide;hydrochloride
SMILESCl.NCC(NS(=O)(=O)c1cncc(F)c1)C1CCCCC1
InChIInChI=1S/C13H20FN3O2S.ClH/c14-11-6-12(9-16-8-11)20(18,19)17-13(7-15)10-4-2-1-3-5-10;/h6,8-10,13,17H,1-5,7,15H2;1H
InChIKeyKVBOUAUABARTJQ-UHFFFAOYSA-N
XLogP1.83
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-3,5-difluorobenzenesulfonamide
CID 115309326
N-(2-amino-1-cyclopentylethyl)-5-chloropyridine-3-sulfonamide
CID 120584957
N-(2-amino-1-cyclohexylethyl)-2-chloro-4-fluorobenzenesulfonamide;hydrochloride
CID 119983782
N-(2-amino-1-cyclohexylethyl)-2,5-difluorobenzenesulfonamide;hydrochloride
CID 119983602
N-(2-amino-1-cyclopentylethyl)-2,4-difluorobenzenesulfonamide
CID 106737805
N-(2-amino-1-cyclohexylethyl)benzenesulfonamide
CID 61122381
N-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-carboxamide;dihydrochloride
CID 119589722
N-(2-amino-1-cyclopentylethyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 120585234
N-(4-aminobutan-2-yl)-5-fluoropyridine-3-sulfonamide
CID 62093672
N-(2-amino-1-cyclohexylethyl)-2-phenylpyrimidine-5-sulfonamide;hydrochloride
CID 120710800
N-(2-amino-1-cyclopentylethyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120584913
N-(2-amino-1-cyclohexylethyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 120710803

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-sulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-sulfonamide;hydrochloride (CID 119983682) is N-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-sulfonamide;hydrochloride is Cl.NCC(NS(=O)(=O)c1cncc(F)c1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-sulfonamide;hydrochloride?
The InChIKey is KVBOUAUABARTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2S.ClH/c14-11-6-12(9-16-8-11)20(18,19)17-13(7-15)10-4-2-1-3-5-10;/h6,8-10,13,17H,1-5,7,15H2;1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-sulfonamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-sulfonamide;hydrochloride has a molecular weight of 337.85 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-sulfonamide;hydrochloride is sourced from PubChem (CID 119983682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).