3-fluoro-N,N-dipentylpyridine-2-sulfonamide

C15H25FN2O2S — CID 103299737

IUPAC3-fluoro-N,N-dipentylpyridine-2-sulfonamide
SMILESCCCCCN(CCCCC)S(=O)(=O)c1ncccc1F
InChIInChI=1S/C15H25FN2O2S/c1-3-5-7-12-18(13-8-6-4-2)21(19,20)15-14(16)10-9-11-17-15/h9-11H,3-8,12-13H2,1-2H3
InChIKeyMIWBEXAIBAGSMK-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.59
Rot. Bonds10

About 3-fluoro-N,N-dipentylpyridine-2-sulfonamide

3-fluoro-N,N-dipentylpyridine-2-sulfonamide (PubChem CID 103299737) has the molecular formula C15H25FN2O2S and a molecular weight of 316.44 g/mol. Its IUPAC name is 3-fluoro-N,N-dipentylpyridine-2-sulfonamide.

Molecular Properties

Compound Name3-fluoro-N,N-dipentylpyridine-2-sulfonamide
PubChem CID103299737
Molecular FormulaC15H25FN2O2S
Molecular Weight316.44 g/mol
Exact Mass316.16
IUPAC Name3-fluoro-N,N-dipentylpyridine-2-sulfonamide
SMILESCCCCCN(CCCCC)S(=O)(=O)c1ncccc1F
InChIInChI=1S/C15H25FN2O2S/c1-3-5-7-12-18(13-8-6-4-2)21(19,20)15-14(16)10-9-11-17-15/h9-11H,3-8,12-13H2,1-2H3
InChIKeyMIWBEXAIBAGSMK-UHFFFAOYSA-N
XLogP3.59
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-3-fluoro-N-(2-methylpropyl)pyridine-2-sulfonamide
CID 103298483
2-[(3-fluoro-2-pyridinyl)sulfonyl-propylamino]-N-propylacetamide
CID 103299629
N,N-bis(2-cyanoethyl)-3-fluoropyridine-2-sulfonamide
CID 103299443
N,N-dibutyl-3-(ethylamino)pyridine-2-sulfonamide
CID 103304336
N-cyclopropyl-3-fluoro-N-propylpyridine-2-sulfonamide
CID 103299212
4-[(3-fluoro-2-pyridinyl)sulfonyl-methylamino]butanoic acid
CID 103298703
N-ethyl-3-fluoro-N-[(2-methylphenyl)methyl]pyridine-2-sulfonamide
CID 103299471
N-ethyl-3-fluoro-N-(2-fluorophenyl)pyridine-2-sulfonamide
CID 103299977
2-[(2-amino-2-oxoethyl)-[(3-fluoro-2-pyridinyl)sulfonyl]amino]acetic acid
CID 107435853
ethyl 3-[(3-fluoro-2-pyridinyl)sulfonyl-methylamino]propanoate
CID 103299959
3-hydrazinyl-N,N-dipropylpyridine-2-sulfonamide
CID 103300870
2-chloro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 61045189

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,N-dipentylpyridine-2-sulfonamide?
The IUPAC name of 3-fluoro-N,N-dipentylpyridine-2-sulfonamide (CID 103299737) is 3-fluoro-N,N-dipentylpyridine-2-sulfonamide.
What is the SMILES notation for 3-fluoro-N,N-dipentylpyridine-2-sulfonamide?
The canonical SMILES for 3-fluoro-N,N-dipentylpyridine-2-sulfonamide is CCCCCN(CCCCC)S(=O)(=O)c1ncccc1F.
What is the InChIKey of 3-fluoro-N,N-dipentylpyridine-2-sulfonamide?
The InChIKey is MIWBEXAIBAGSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O2S/c1-3-5-7-12-18(13-8-6-4-2)21(19,20)15-14(16)10-9-11-17-15/h9-11H,3-8,12-13H2,1-2H3.
What are the key properties of 3-fluoro-N,N-dipentylpyridine-2-sulfonamide?
3-fluoro-N,N-dipentylpyridine-2-sulfonamide has a molecular weight of 316.44 g/mol, XLogP of 3.59, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,N-dipentylpyridine-2-sulfonamide is sourced from PubChem (CID 103299737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).