3-fluoro-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]benzenesulfonamide

C15H13FN4O2S — CID 51101661

IUPAC3-fluoro-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccn(Cc2ccncc2)n1)c1cccc(F)c1
InChIInChI=1S/C15H13FN4O2S/c16-13-2-1-3-14(10-13)23(21,22)19-15-6-9-20(18-15)11-12-4-7-17-8-5-12/h1-10H,11H2,(H,18,19)
InChIKeyGGLFXIXHFQYJKY-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.27
Rot. Bonds5

About 3-fluoro-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]benzenesulfonamide

3-fluoro-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]benzenesulfonamide (PubChem CID 51101661) has the molecular formula C15H13FN4O2S and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-fluoro-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]benzenesulfonamide
PubChem CID51101661
Molecular FormulaC15H13FN4O2S
Molecular Weight332.36 g/mol
Exact Mass332.07
IUPAC Name3-fluoro-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccn(Cc2ccncc2)n1)c1cccc(F)c1
InChIInChI=1S/C15H13FN4O2S/c16-13-2-1-3-14(10-13)23(21,22)19-15-6-9-20(18-15)11-12-4-7-17-8-5-12/h1-10H,11H2,(H,18,19)
InChIKeyGGLFXIXHFQYJKY-UHFFFAOYSA-N
XLogP2.27
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]benzenesulfonamide (CID 51101661) is 3-fluoro-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]benzenesulfonamide is O=S(=O)(Nc1ccn(Cc2ccncc2)n1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]benzenesulfonamide?
The InChIKey is GGLFXIXHFQYJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2S/c16-13-2-1-3-14(10-13)23(21,22)19-15-6-9-20(18-15)11-12-4-7-17-8-5-12/h1-10H,11H2,(H,18,19).
What are the key properties of 3-fluoro-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]benzenesulfonamide?
3-fluoro-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]benzenesulfonamide has a molecular weight of 332.36 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 51101661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).