N-(6-fluoro-3-pyridinyl)-1-methylpyrazole-4-sulfonamide

C9H9FN4O2S — CID 103775655

IUPACN-(6-fluoro-3-pyridinyl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ccc(F)nc2)cn1
InChIInChI=1S/C9H9FN4O2S/c1-14-6-8(5-12-14)17(15,16)13-7-2-3-9(10)11-4-7/h2-6,13H,1H3
InChIKeyQPARBPADBKPTCT-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.75
Rot. Bonds3

About N-(6-fluoro-3-pyridinyl)-1-methylpyrazole-4-sulfonamide

N-(6-fluoro-3-pyridinyl)-1-methylpyrazole-4-sulfonamide (PubChem CID 103775655) has the molecular formula C9H9FN4O2S and a molecular weight of 256.26 g/mol. Its IUPAC name is N-(6-fluoro-3-pyridinyl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(6-fluoro-3-pyridinyl)-1-methylpyrazole-4-sulfonamide
PubChem CID103775655
Molecular FormulaC9H9FN4O2S
Molecular Weight256.26 g/mol
Exact Mass256.04
IUPAC NameN-(6-fluoro-3-pyridinyl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ccc(F)nc2)cn1
InChIInChI=1S/C9H9FN4O2S/c1-14-6-8(5-12-14)17(15,16)13-7-2-3-9(10)11-4-7/h2-6,13H,1H3
InChIKeyQPARBPADBKPTCT-UHFFFAOYSA-N
XLogP0.75
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-3-pyridinyl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(6-fluoro-3-pyridinyl)-1-methylpyrazole-4-sulfonamide (CID 103775655) is N-(6-fluoro-3-pyridinyl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(6-fluoro-3-pyridinyl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(6-fluoro-3-pyridinyl)-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)Nc2ccc(F)nc2)cn1.
What is the InChIKey of N-(6-fluoro-3-pyridinyl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is QPARBPADBKPTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4O2S/c1-14-6-8(5-12-14)17(15,16)13-7-2-3-9(10)11-4-7/h2-6,13H,1H3.
What are the key properties of N-(6-fluoro-3-pyridinyl)-1-methylpyrazole-4-sulfonamide?
N-(6-fluoro-3-pyridinyl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 256.26 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3-pyridinyl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 103775655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).