3-amino-N-(5-fluoro-2-pyridinyl)propane-1-sulfonamide

C8H12FN3O2S — CID 65481850

IUPAC3-amino-N-(5-fluoro-2-pyridinyl)propane-1-sulfonamide
SMILESNCCCS(=O)(=O)Nc1ccc(F)cn1
InChIInChI=1S/C8H12FN3O2S/c9-7-2-3-8(11-6-7)12-15(13,14)5-1-4-10/h2-3,6H,1,4-5,10H2,(H,11,12)
InChIKeySHHRKOLMIKIZEB-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.31
Rot. Bonds5

About 3-amino-N-(5-fluoro-2-pyridinyl)propane-1-sulfonamide

3-amino-N-(5-fluoro-2-pyridinyl)propane-1-sulfonamide (PubChem CID 65481850) has the molecular formula C8H12FN3O2S and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-amino-N-(5-fluoro-2-pyridinyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(5-fluoro-2-pyridinyl)propane-1-sulfonamide
PubChem CID65481850
Molecular FormulaC8H12FN3O2S
Molecular Weight233.27 g/mol
Exact Mass233.06
IUPAC Name3-amino-N-(5-fluoro-2-pyridinyl)propane-1-sulfonamide
SMILESNCCCS(=O)(=O)Nc1ccc(F)cn1
InChIInChI=1S/C8H12FN3O2S/c9-7-2-3-8(11-6-7)12-15(13,14)5-1-4-10/h2-3,6H,1,4-5,10H2,(H,11,12)
InChIKeySHHRKOLMIKIZEB-UHFFFAOYSA-N
XLogP0.31
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(5-fluoro-2-pyridinyl)propane-1-sulfonamide
CID 65482273
2-(2-aminoethoxy)-N-(5-fluoro-2-pyridinyl)ethanesulfonamide
CID 112751598
2-(2-aminophenoxy)-N-(5-fluoro-2-pyridinyl)ethanesulfonamide
CID 65482643
4-amino-N-pyridin-2-ylbutane-1-sulfonamide
CID 61456018
N-(5-amino-2-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83068756
N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propane-1-sulfonamide
CID 113027137
N-[5-(3,4-difluoroanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113037630
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide
CID 113027066
5-amino-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 65481643
4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 82844573
4-chloro-N-(5-methyl-2-pyridinyl)butane-1-sulfonamide
CID 116815095
5-fluoro-N-(2-methylsulfonylethyl)pyridin-2-amine
CID 61313739

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-fluoro-2-pyridinyl)propane-1-sulfonamide?
The IUPAC name of 3-amino-N-(5-fluoro-2-pyridinyl)propane-1-sulfonamide (CID 65481850) is 3-amino-N-(5-fluoro-2-pyridinyl)propane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-(5-fluoro-2-pyridinyl)propane-1-sulfonamide?
The canonical SMILES for 3-amino-N-(5-fluoro-2-pyridinyl)propane-1-sulfonamide is NCCCS(=O)(=O)Nc1ccc(F)cn1.
What is the InChIKey of 3-amino-N-(5-fluoro-2-pyridinyl)propane-1-sulfonamide?
The InChIKey is SHHRKOLMIKIZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O2S/c9-7-2-3-8(11-6-7)12-15(13,14)5-1-4-10/h2-3,6H,1,4-5,10H2,(H,11,12).
What are the key properties of 3-amino-N-(5-fluoro-2-pyridinyl)propane-1-sulfonamide?
3-amino-N-(5-fluoro-2-pyridinyl)propane-1-sulfonamide has a molecular weight of 233.27 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-fluoro-2-pyridinyl)propane-1-sulfonamide is sourced from PubChem (CID 65481850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).