N-(4-aminobutan-2-yl)-5-fluoropyridine-3-sulfonamide

C9H14FN3O2S — CID 62093672

IUPACN-(4-aminobutan-2-yl)-5-fluoropyridine-3-sulfonamide
SMILESCC(CCN)NS(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C9H14FN3O2S/c1-7(2-3-11)13-16(14,15)9-4-8(10)5-12-6-9/h4-7,13H,2-3,11H2,1H3
InChIKeyFZGGZTBDEQNEMK-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.24
Rot. Bonds5

About N-(4-aminobutan-2-yl)-5-fluoropyridine-3-sulfonamide

N-(4-aminobutan-2-yl)-5-fluoropyridine-3-sulfonamide (PubChem CID 62093672) has the molecular formula C9H14FN3O2S and a molecular weight of 247.29 g/mol. Its IUPAC name is N-(4-aminobutan-2-yl)-5-fluoropyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-aminobutan-2-yl)-5-fluoropyridine-3-sulfonamide
PubChem CID62093672
Molecular FormulaC9H14FN3O2S
Molecular Weight247.29 g/mol
Exact Mass247.08
IUPAC NameN-(4-aminobutan-2-yl)-5-fluoropyridine-3-sulfonamide
SMILESCC(CCN)NS(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C9H14FN3O2S/c1-7(2-3-11)13-16(14,15)9-4-8(10)5-12-6-9/h4-7,13H,2-3,11H2,1H3
InChIKeyFZGGZTBDEQNEMK-UHFFFAOYSA-N
XLogP0.24
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-3-methylbutanoic acid
CID 79011040
N-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-sulfonamide;hydrochloride
CID 119983682
N-(1-amino-2,4-dimethylpentan-2-yl)-5-fluoropyridine-3-sulfonamide
CID 115309880
N-(1-chloro-3-methoxypropan-2-yl)-5-fluoropyridine-3-sulfonamide
CID 106185548
N-(1-amino-2,4-dimethylpentan-2-yl)-5-fluoropyridine-3-sulfonamide;hydrochloride
CID 119985163
5-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide
CID 65034557
methyl 2-chloro-3-[(5-fluoro-3-pyridinyl)sulfonylamino]propanoate
CID 103493492
5-fluoro-N-[(2R)-2-hydroxy-2,5-dimethylhexyl]pyridine-3-sulfonamide
CID 97325983
5-fluoro-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]pyridine-3-sulfonamide
CID 175581103
N-(3-chloro-4-methoxybutyl)-5-fluoropyridine-3-sulfonamide
CID 106245517
N-(3-amino-3-phenylpropyl)-5-fluoropyridine-3-sulfonamide
CID 80505696
5-bromo-N-(1-chloropropan-2-yl)pyridine-3-sulfonamide
CID 65030603

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutan-2-yl)-5-fluoropyridine-3-sulfonamide?
The IUPAC name of N-(4-aminobutan-2-yl)-5-fluoropyridine-3-sulfonamide (CID 62093672) is N-(4-aminobutan-2-yl)-5-fluoropyridine-3-sulfonamide.
What is the SMILES notation for N-(4-aminobutan-2-yl)-5-fluoropyridine-3-sulfonamide?
The canonical SMILES for N-(4-aminobutan-2-yl)-5-fluoropyridine-3-sulfonamide is CC(CCN)NS(=O)(=O)c1cncc(F)c1.
What is the InChIKey of N-(4-aminobutan-2-yl)-5-fluoropyridine-3-sulfonamide?
The InChIKey is FZGGZTBDEQNEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O2S/c1-7(2-3-11)13-16(14,15)9-4-8(10)5-12-6-9/h4-7,13H,2-3,11H2,1H3.
What are the key properties of N-(4-aminobutan-2-yl)-5-fluoropyridine-3-sulfonamide?
N-(4-aminobutan-2-yl)-5-fluoropyridine-3-sulfonamide has a molecular weight of 247.29 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutan-2-yl)-5-fluoropyridine-3-sulfonamide is sourced from PubChem (CID 62093672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).