N-(1-amino-2,4-dimethylpentan-2-yl)-5-fluoropyridine-3-sulfonamide;hydrochloride

C12H21ClFN3O2S — CID 119985163

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-5-fluoropyridine-3-sulfonamide;hydrochloride
SMILESCC(C)CC(C)(CN)NS(=O)(=O)c1cncc(F)c1.Cl
InChIInChI=1S/C12H20FN3O2S.ClH/c1-9(2)5-12(3,8-14)16-19(17,18)11-4-10(13)6-15-7-11;/h4,6-7,9,16H,5,8,14H2,1-3H3;1H
InChIKeyBMIJCHPQICBUGC-UHFFFAOYSA-N
MW325.84 g/mol
LogP1.68
Rot. Bonds6

About N-(1-amino-2,4-dimethylpentan-2-yl)-5-fluoropyridine-3-sulfonamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-5-fluoropyridine-3-sulfonamide;hydrochloride (PubChem CID 119985163) has the molecular formula C12H21ClFN3O2S and a molecular weight of 325.84 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-5-fluoropyridine-3-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-5-fluoropyridine-3-sulfonamide;hydrochloride
PubChem CID119985163
Molecular FormulaC12H21ClFN3O2S
Molecular Weight325.84 g/mol
Exact Mass325.10
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-5-fluoropyridine-3-sulfonamide;hydrochloride
SMILESCC(C)CC(C)(CN)NS(=O)(=O)c1cncc(F)c1.Cl
InChIInChI=1S/C12H20FN3O2S.ClH/c1-9(2)5-12(3,8-14)16-19(17,18)11-4-10(13)6-15-7-11;/h4,6-7,9,16H,5,8,14H2,1-3H3;1H
InChIKeyBMIJCHPQICBUGC-UHFFFAOYSA-N
XLogP1.68
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-5-fluoropyridine-3-sulfonamide
CID 115309880
N-(1-amino-2,4-dimethylpentan-2-yl)benzenesulfonamide;hydrochloride
CID 84591010
N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,5-trifluorobenzenesulfonamide
CID 119985170
3-N-(1-amino-2,4-dimethylpentan-2-yl)benzene-1,3-disulfonamide;hydrochloride
CID 119985204
N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzenesulfonamide
CID 115310013
N-(4-aminobutan-2-yl)-5-fluoropyridine-3-sulfonamide
CID 62093672
dimethyl 5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]benzene-1,3-dicarboxylate;hydrochloride
CID 119985198
5-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-3-sulfonamide
CID 62521778
5-fluoro-N-[(2R)-2-hydroxy-2,5-dimethylhexyl]pyridine-3-sulfonamide
CID 97325983
N-(1-amino-2,4-dimethylpentan-2-yl)-4-methoxybenzenesulfonamide
CID 115309909
2-ethyl-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-N'-hydroxybutanimidamide
CID 76923070
N-(1-amino-2,4-dimethylpentan-2-yl)-4-nitrobenzenesulfonamide
CID 86814096

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-5-fluoropyridine-3-sulfonamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-5-fluoropyridine-3-sulfonamide;hydrochloride (CID 119985163) is N-(1-amino-2,4-dimethylpentan-2-yl)-5-fluoropyridine-3-sulfonamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-5-fluoropyridine-3-sulfonamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-5-fluoropyridine-3-sulfonamide;hydrochloride is CC(C)CC(C)(CN)NS(=O)(=O)c1cncc(F)c1.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-5-fluoropyridine-3-sulfonamide;hydrochloride?
The InChIKey is BMIJCHPQICBUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3O2S.ClH/c1-9(2)5-12(3,8-14)16-19(17,18)11-4-10(13)6-15-7-11;/h4,6-7,9,16H,5,8,14H2,1-3H3;1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-5-fluoropyridine-3-sulfonamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-5-fluoropyridine-3-sulfonamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-5-fluoropyridine-3-sulfonamide;hydrochloride is sourced from PubChem (CID 119985163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).