4-fluoro-N-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)benzenesulfonamide

C15H13FN4O2S — CID 18346858

IUPAC4-fluoro-N-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)benzenesulfonamide
SMILESCn1cc(-c2ccncc2)c(NS(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C15H13FN4O2S/c1-20-10-14(11-6-8-17-9-7-11)15(18-20)19-23(21,22)13-4-2-12(16)3-5-13/h2-10H,1H3,(H,18,19)
InChIKeyODCLLWCVGCEKLQ-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.42
Rot. Bonds4

About 4-fluoro-N-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)benzenesulfonamide

4-fluoro-N-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)benzenesulfonamide (PubChem CID 18346858) has the molecular formula C15H13FN4O2S and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-fluoro-N-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)benzenesulfonamide
PubChem CID18346858
Molecular FormulaC15H13FN4O2S
Molecular Weight332.36 g/mol
Exact Mass332.07
IUPAC Name4-fluoro-N-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)benzenesulfonamide
SMILESCn1cc(-c2ccncc2)c(NS(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C15H13FN4O2S/c1-20-10-14(11-6-8-17-9-7-11)15(18-20)19-23(21,22)13-4-2-12(16)3-5-13/h2-10H,1H3,(H,18,19)
InChIKeyODCLLWCVGCEKLQ-UHFFFAOYSA-N
XLogP2.42
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)benzenesulfonamide (CID 18346858) is 4-fluoro-N-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)benzenesulfonamide is Cn1cc(-c2ccncc2)c(NS(=O)(=O)c2ccc(F)cc2)n1.
What is the InChIKey of 4-fluoro-N-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is ODCLLWCVGCEKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2S/c1-20-10-14(11-6-8-17-9-7-11)15(18-20)19-23(21,22)13-4-2-12(16)3-5-13/h2-10H,1H3,(H,18,19).
What are the key properties of 4-fluoro-N-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)benzenesulfonamide?
4-fluoro-N-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 332.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 18346858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).