3,5-difluoro-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide

C16H14F2N4O2S — CID 122275612

IUPAC3,5-difluoro-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
SMILESCn1cc(-c2ncccc2CNS(=O)(=O)c2cc(F)cc(F)c2)cn1
InChIInChI=1S/C16H14F2N4O2S/c1-22-10-12(8-20-22)16-11(3-2-4-19-16)9-21-25(23,24)15-6-13(17)5-14(18)7-15/h2-8,10,21H,9H2,1H3
InChIKeyQGNVXLXYQIGFDG-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.24
Rot. Bonds5

About 3,5-difluoro-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide

3,5-difluoro-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide (PubChem CID 122275612) has the molecular formula C16H14F2N4O2S and a molecular weight of 364.38 g/mol. Its IUPAC name is 3,5-difluoro-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-difluoro-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
PubChem CID122275612
Molecular FormulaC16H14F2N4O2S
Molecular Weight364.38 g/mol
Exact Mass364.08
IUPAC Name3,5-difluoro-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
SMILESCn1cc(-c2ncccc2CNS(=O)(=O)c2cc(F)cc(F)c2)cn1
InChIInChI=1S/C16H14F2N4O2S/c1-22-10-12(8-20-22)16-11(3-2-4-19-16)9-21-25(23,24)15-6-13(17)5-14(18)7-15/h2-8,10,21H,9H2,1H3
InChIKeyQGNVXLXYQIGFDG-UHFFFAOYSA-N
XLogP2.24
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 122275553
N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyridine-3-sulfonamide
CID 122275551
4-methyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 121022847
4-acetyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 122275576
1,2-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]imidazole-4-sulfonamide
CID 122275647
5-bromo-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]thiophene-2-sulfonamide
CID 122275603
4-fluoro-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzenesulfonamide
CID 53148360
4-fluoro-3-methyl-N-[[2-(4-methylphenyl)-3-pyridinyl]methyl]benzenesulfonamide
CID 53148402
4-bromo-N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]benzenesulfonamide
CID 53148390
1-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea
CID 122275511
1-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 122275480
N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122246650

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide?
The IUPAC name of 3,5-difluoro-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide (CID 122275612) is 3,5-difluoro-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide.
What is the SMILES notation for 3,5-difluoro-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide?
The canonical SMILES for 3,5-difluoro-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide is Cn1cc(-c2ncccc2CNS(=O)(=O)c2cc(F)cc(F)c2)cn1.
What is the InChIKey of 3,5-difluoro-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide?
The InChIKey is QGNVXLXYQIGFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O2S/c1-22-10-12(8-20-22)16-11(3-2-4-19-16)9-21-25(23,24)15-6-13(17)5-14(18)7-15/h2-8,10,21H,9H2,1H3.
What are the key properties of 3,5-difluoro-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide?
3,5-difluoro-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide has a molecular weight of 364.38 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide is sourced from PubChem (CID 122275612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).