N-cyclopropyl-5-fluoro-N-(oxetan-3-yl)pyridine-3-sulfonamide

C11H13FN2O3S — CID 128580927

IUPACN-cyclopropyl-5-fluoro-N-(oxetan-3-yl)pyridine-3-sulfonamide
SMILESO=S(=O)(c1cncc(F)c1)N(C1CC1)C1COC1
InChIInChI=1S/C11H13FN2O3S/c12-8-3-11(5-13-4-8)18(15,16)14(9-1-2-9)10-6-17-7-10/h3-5,9-10H,1-2,6-7H2
InChIKeyYMUJZOWPVHTPLU-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.77
Rot. Bonds4

About N-cyclopropyl-5-fluoro-N-(oxetan-3-yl)pyridine-3-sulfonamide

N-cyclopropyl-5-fluoro-N-(oxetan-3-yl)pyridine-3-sulfonamide (PubChem CID 128580927) has the molecular formula C11H13FN2O3S and a molecular weight of 272.30 g/mol. Its IUPAC name is N-cyclopropyl-5-fluoro-N-(oxetan-3-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-5-fluoro-N-(oxetan-3-yl)pyridine-3-sulfonamide
PubChem CID128580927
Molecular FormulaC11H13FN2O3S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC NameN-cyclopropyl-5-fluoro-N-(oxetan-3-yl)pyridine-3-sulfonamide
SMILESO=S(=O)(c1cncc(F)c1)N(C1CC1)C1COC1
InChIInChI=1S/C11H13FN2O3S/c12-8-3-11(5-13-4-8)18(15,16)14(9-1-2-9)10-6-17-7-10/h3-5,9-10H,1-2,6-7H2
InChIKeyYMUJZOWPVHTPLU-UHFFFAOYSA-N
XLogP0.77
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-fluoro-N-(oxetan-3-yl)pyridine-3-sulfonamide?
The IUPAC name of N-cyclopropyl-5-fluoro-N-(oxetan-3-yl)pyridine-3-sulfonamide (CID 128580927) is N-cyclopropyl-5-fluoro-N-(oxetan-3-yl)pyridine-3-sulfonamide.
What is the SMILES notation for N-cyclopropyl-5-fluoro-N-(oxetan-3-yl)pyridine-3-sulfonamide?
The canonical SMILES for N-cyclopropyl-5-fluoro-N-(oxetan-3-yl)pyridine-3-sulfonamide is O=S(=O)(c1cncc(F)c1)N(C1CC1)C1COC1.
What is the InChIKey of N-cyclopropyl-5-fluoro-N-(oxetan-3-yl)pyridine-3-sulfonamide?
The InChIKey is YMUJZOWPVHTPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3S/c12-8-3-11(5-13-4-8)18(15,16)14(9-1-2-9)10-6-17-7-10/h3-5,9-10H,1-2,6-7H2.
What are the key properties of N-cyclopropyl-5-fluoro-N-(oxetan-3-yl)pyridine-3-sulfonamide?
N-cyclopropyl-5-fluoro-N-(oxetan-3-yl)pyridine-3-sulfonamide has a molecular weight of 272.30 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-fluoro-N-(oxetan-3-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 128580927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).