N-(6-fluoro-2-pyridinyl)-3-methoxypropane-1-sulfonamide

C9H13FN2O3S — CID 104821530

IUPACN-(6-fluoro-2-pyridinyl)-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)Nc1cccc(F)n1
InChIInChI=1S/C9H13FN2O3S/c1-15-6-3-7-16(13,14)12-9-5-2-4-8(10)11-9/h2,4-5H,3,6-7H2,1H3,(H,11,12)
InChIKeyVXPNIQQXPOSGMJ-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.00
Rot. Bonds6

About N-(6-fluoro-2-pyridinyl)-3-methoxypropane-1-sulfonamide

N-(6-fluoro-2-pyridinyl)-3-methoxypropane-1-sulfonamide (PubChem CID 104821530) has the molecular formula C9H13FN2O3S and a molecular weight of 248.28 g/mol. Its IUPAC name is N-(6-fluoro-2-pyridinyl)-3-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-(6-fluoro-2-pyridinyl)-3-methoxypropane-1-sulfonamide
PubChem CID104821530
Molecular FormulaC9H13FN2O3S
Molecular Weight248.28 g/mol
Exact Mass248.06
IUPAC NameN-(6-fluoro-2-pyridinyl)-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)Nc1cccc(F)n1
InChIInChI=1S/C9H13FN2O3S/c1-15-6-3-7-16(13,14)12-9-5-2-4-8(10)11-9/h2,4-5H,3,6-7H2,1H3,(H,11,12)
InChIKeyVXPNIQQXPOSGMJ-UHFFFAOYSA-N
XLogP1.00
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-2-pyridinyl)-3-methoxypropane-1-sulfonamide?
The IUPAC name of N-(6-fluoro-2-pyridinyl)-3-methoxypropane-1-sulfonamide (CID 104821530) is N-(6-fluoro-2-pyridinyl)-3-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-(6-fluoro-2-pyridinyl)-3-methoxypropane-1-sulfonamide?
The canonical SMILES for N-(6-fluoro-2-pyridinyl)-3-methoxypropane-1-sulfonamide is COCCCS(=O)(=O)Nc1cccc(F)n1.
What is the InChIKey of N-(6-fluoro-2-pyridinyl)-3-methoxypropane-1-sulfonamide?
The InChIKey is VXPNIQQXPOSGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O3S/c1-15-6-3-7-16(13,14)12-9-5-2-4-8(10)11-9/h2,4-5H,3,6-7H2,1H3,(H,11,12).
What are the key properties of N-(6-fluoro-2-pyridinyl)-3-methoxypropane-1-sulfonamide?
N-(6-fluoro-2-pyridinyl)-3-methoxypropane-1-sulfonamide has a molecular weight of 248.28 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-2-pyridinyl)-3-methoxypropane-1-sulfonamide is sourced from PubChem (CID 104821530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).