4-fluoro-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide

C16H15FN4O2S — CID 122275553

IUPAC4-fluoro-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
SMILESCn1cc(-c2ncccc2CNS(=O)(=O)c2ccc(F)cc2)cn1
InChIInChI=1S/C16H15FN4O2S/c1-21-11-13(9-19-21)16-12(3-2-8-18-16)10-20-24(22,23)15-6-4-14(17)5-7-15/h2-9,11,20H,10H2,1H3
InChIKeyBGYZZNZHDDBCLW-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.10
Rot. Bonds5

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

4-fluoro-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide (PubChem CID 122275553) has the molecular formula C16H15FN4O2S and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-fluoro-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
PubChem CID122275553
Molecular FormulaC16H15FN4O2S
Molecular Weight346.39 g/mol
Exact Mass346.09
IUPAC Name4-fluoro-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
SMILESCn1cc(-c2ncccc2CNS(=O)(=O)c2ccc(F)cc2)cn1
InChIInChI=1S/C16H15FN4O2S/c1-21-11-13(9-19-21)16-12(3-2-8-18-16)10-20-24(22,23)15-6-4-14(17)5-7-15/h2-9,11,20H,10H2,1H3
InChIKeyBGYZZNZHDDBCLW-UHFFFAOYSA-N
XLogP2.10
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-difluoro-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 122275612
4-methyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 121022847
N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyridine-3-sulfonamide
CID 122275551
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
4-bromo-N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]benzenesulfonamide
CID 53148390
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
N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122246650
4-fluoro-3-methyl-N-[[2-(4-methylphenyl)-3-pyridinyl]methyl]benzenesulfonamide
CID 53148402
1-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea
CID 122275511
(1-methylpiperidin-4-yl) N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]carbamate
CID 122275461

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide (CID 122275553) is 4-fluoro-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide is Cn1cc(-c2ncccc2CNS(=O)(=O)c2ccc(F)cc2)cn1.
What is the InChIKey of 4-fluoro-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide?
The InChIKey is BGYZZNZHDDBCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2S/c1-21-11-13(9-19-21)16-12(3-2-8-18-16)10-20-24(22,23)15-6-4-14(17)5-7-15/h2-9,11,20H,10H2,1H3.
What are the key properties of 4-fluoro-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide?
4-fluoro-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide has a molecular weight of 346.39 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide is sourced from PubChem (CID 122275553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).