5-fluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-sulfonamide

C12H15FN4O2S — CID 62040501

IUPAC5-fluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-sulfonamide
SMILESCc1[nH]ncc1CCCNS(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C12H15FN4O2S/c1-9-10(6-15-17-9)3-2-4-16-20(18,19)12-5-11(13)7-14-8-12/h5-8,16H,2-4H2,1H3,(H,15,17)
InChIKeyFXEPEMJAUYOKQL-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.16
Rot. Bonds6

About 5-fluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-sulfonamide

5-fluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-sulfonamide (PubChem CID 62040501) has the molecular formula C12H15FN4O2S and a molecular weight of 298.34 g/mol. Its IUPAC name is 5-fluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-fluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-sulfonamide
PubChem CID62040501
Molecular FormulaC12H15FN4O2S
Molecular Weight298.34 g/mol
Exact Mass298.09
IUPAC Name5-fluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-sulfonamide
SMILESCc1[nH]ncc1CCCNS(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C12H15FN4O2S/c1-9-10(6-15-17-9)3-2-4-16-20(18,19)12-5-11(13)7-14-8-12/h5-8,16H,2-4H2,1H3,(H,15,17)
InChIKeyFXEPEMJAUYOKQL-UHFFFAOYSA-N
XLogP1.16
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,1-trifluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]methanesulfonamide
CID 62040916
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide
CID 62040706
3-(5-methyl-1H-pyrazol-4-yl)-N-(methylsulfamoyl)propan-1-amine
CID 114810051
N-(4-ethyl-1H-pyrazol-5-yl)-5-fluoropyridine-3-sulfonamide
CID 113433882
4-[3-(dimethylsulfamoylamino)propyl]-5-methyl-1H-pyrazole
CID 62040310
2-amino-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzenesulfonamide
CID 62040457
3,5-dimethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2-oxazole-4-sulfonamide
CID 62040309
3-fluoro-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 54896485
2-amino-6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzenesulfonamide
CID 62038556
4-bromo-2-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzenesulfonamide
CID 62040495
3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butane-1-sulfonamide
CID 63855885
2-(ethylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide
CID 62038196

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-sulfonamide?
The IUPAC name of 5-fluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-sulfonamide (CID 62040501) is 5-fluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-fluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-fluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-sulfonamide is Cc1[nH]ncc1CCCNS(=O)(=O)c1cncc(F)c1.
What is the InChIKey of 5-fluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-sulfonamide?
The InChIKey is FXEPEMJAUYOKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O2S/c1-9-10(6-15-17-9)3-2-4-16-20(18,19)12-5-11(13)7-14-8-12/h5-8,16H,2-4H2,1H3,(H,15,17).
What are the key properties of 5-fluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-sulfonamide?
5-fluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-sulfonamide has a molecular weight of 298.34 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-sulfonamide is sourced from PubChem (CID 62040501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).