N-(2,6-difluoro-3-pyridinyl)-1-methylpyrazole-4-sulfonamide

C9H8F2N4O2S — CID 103098160

IUPACN-(2,6-difluoro-3-pyridinyl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ccc(F)nc2F)cn1
InChIInChI=1S/C9H8F2N4O2S/c1-15-5-6(4-12-15)18(16,17)14-7-2-3-8(10)13-9(7)11/h2-5,14H,1H3
InChIKeyMMYFXPUBNMAYEM-UHFFFAOYSA-N
MW274.25 g/mol
LogP0.89
Rot. Bonds3

About N-(2,6-difluoro-3-pyridinyl)-1-methylpyrazole-4-sulfonamide

N-(2,6-difluoro-3-pyridinyl)-1-methylpyrazole-4-sulfonamide (PubChem CID 103098160) has the molecular formula C9H8F2N4O2S and a molecular weight of 274.25 g/mol. Its IUPAC name is N-(2,6-difluoro-3-pyridinyl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,6-difluoro-3-pyridinyl)-1-methylpyrazole-4-sulfonamide
PubChem CID103098160
Molecular FormulaC9H8F2N4O2S
Molecular Weight274.25 g/mol
Exact Mass274.03
IUPAC NameN-(2,6-difluoro-3-pyridinyl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ccc(F)nc2F)cn1
InChIInChI=1S/C9H8F2N4O2S/c1-15-5-6(4-12-15)18(16,17)14-7-2-3-8(10)13-9(7)11/h2-5,14H,1H3
InChIKeyMMYFXPUBNMAYEM-UHFFFAOYSA-N
XLogP0.89
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 50.89
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-(2,6-difluoro-3-pyridinyl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(2,6-difluoro-3-pyridinyl)-1-methylpyrazole-4-sulfonamide (CID 103098160) is N-(2,6-difluoro-3-pyridinyl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2,6-difluoro-3-pyridinyl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2,6-difluoro-3-pyridinyl)-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)Nc2ccc(F)nc2F)cn1.
What is the InChIKey of N-(2,6-difluoro-3-pyridinyl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is MMYFXPUBNMAYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N4O2S/c1-15-5-6(4-12-15)18(16,17)14-7-2-3-8(10)13-9(7)11/h2-5,14H,1H3.
What are the key properties of N-(2,6-difluoro-3-pyridinyl)-1-methylpyrazole-4-sulfonamide?
N-(2,6-difluoro-3-pyridinyl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 274.25 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-3-pyridinyl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 103098160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).