N-(6-fluoro-2-pyridinyl)cyclopropanesulfonamide

C8H9FN2O2S — CID 104821673

IUPACN-(6-fluoro-2-pyridinyl)cyclopropanesulfonamide
SMILESO=S(=O)(Nc1cccc(F)n1)C1CC1
InChIInChI=1S/C8H9FN2O2S/c9-7-2-1-3-8(10-7)11-14(12,13)6-4-5-6/h1-3,6H,4-5H2,(H,10,11)
InChIKeyPINNJFVSYRKVTN-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.12
Rot. Bonds3

About N-(6-fluoro-2-pyridinyl)cyclopropanesulfonamide

N-(6-fluoro-2-pyridinyl)cyclopropanesulfonamide (PubChem CID 104821673) has the molecular formula C8H9FN2O2S and a molecular weight of 216.24 g/mol. Its IUPAC name is N-(6-fluoro-2-pyridinyl)cyclopropanesulfonamide.

Molecular Properties

Compound NameN-(6-fluoro-2-pyridinyl)cyclopropanesulfonamide
PubChem CID104821673
Molecular FormulaC8H9FN2O2S
Molecular Weight216.24 g/mol
Exact Mass216.04
IUPAC NameN-(6-fluoro-2-pyridinyl)cyclopropanesulfonamide
SMILESO=S(=O)(Nc1cccc(F)n1)C1CC1
InChIInChI=1S/C8H9FN2O2S/c9-7-2-1-3-8(10-7)11-14(12,13)6-4-5-6/h1-3,6H,4-5H2,(H,10,11)
InChIKeyPINNJFVSYRKVTN-UHFFFAOYSA-N
XLogP1.12
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-2-pyridinyl)cyclopropanesulfonamide?
The IUPAC name of N-(6-fluoro-2-pyridinyl)cyclopropanesulfonamide (CID 104821673) is N-(6-fluoro-2-pyridinyl)cyclopropanesulfonamide.
What is the SMILES notation for N-(6-fluoro-2-pyridinyl)cyclopropanesulfonamide?
The canonical SMILES for N-(6-fluoro-2-pyridinyl)cyclopropanesulfonamide is O=S(=O)(Nc1cccc(F)n1)C1CC1.
What is the InChIKey of N-(6-fluoro-2-pyridinyl)cyclopropanesulfonamide?
The InChIKey is PINNJFVSYRKVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2S/c9-7-2-1-3-8(10-7)11-14(12,13)6-4-5-6/h1-3,6H,4-5H2,(H,10,11).
What are the key properties of N-(6-fluoro-2-pyridinyl)cyclopropanesulfonamide?
N-(6-fluoro-2-pyridinyl)cyclopropanesulfonamide has a molecular weight of 216.24 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-2-pyridinyl)cyclopropanesulfonamide is sourced from PubChem (CID 104821673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).