2-fluoro-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]benzenesulfonamide

C16H15FN4O2S — CID 71797534

IUPAC2-fluoro-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESCn1nc(CNS(=O)(=O)c2ccccc2F)cc1-c1ccncc1
InChIInChI=1S/C16H15FN4O2S/c1-21-15(12-6-8-18-9-7-12)10-13(20-21)11-19-24(22,23)16-5-3-2-4-14(16)17/h2-10,19H,11H2,1H3
InChIKeyLMHAGCGGGUOOKC-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.10
Rot. Bonds5

About 2-fluoro-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]benzenesulfonamide

2-fluoro-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]benzenesulfonamide (PubChem CID 71797534) has the molecular formula C16H15FN4O2S and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-fluoro-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]benzenesulfonamide
PubChem CID71797534
Molecular FormulaC16H15FN4O2S
Molecular Weight346.39 g/mol
Exact Mass346.09
IUPAC Name2-fluoro-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESCn1nc(CNS(=O)(=O)c2ccccc2F)cc1-c1ccncc1
InChIInChI=1S/C16H15FN4O2S/c1-21-15(12-6-8-18-9-7-12)10-13(20-21)11-19-24(22,23)16-5-3-2-4-14(16)17/h2-10,19H,11H2,1H3
InChIKeyLMHAGCGGGUOOKC-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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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]benzenesulfonamide (CID 71797534) is 2-fluoro-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]benzenesulfonamide is Cn1nc(CNS(=O)(=O)c2ccccc2F)cc1-c1ccncc1.
What is the InChIKey of 2-fluoro-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]benzenesulfonamide?
The InChIKey is LMHAGCGGGUOOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2S/c1-21-15(12-6-8-18-9-7-12)10-13(20-21)11-19-24(22,23)16-5-3-2-4-14(16)17/h2-10,19H,11H2,1H3.
What are the key properties of 2-fluoro-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]benzenesulfonamide?
2-fluoro-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)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 2-fluoro-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 71797534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).