4-(1-fluoroethyl)-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide

C16H15FN4O2S — CID 90285721

IUPAC4-(1-fluoroethyl)-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide
SMILESCC(F)c1ccc(S(=O)(=O)Nc2ccnn2-c2ccccn2)cc1
InChIInChI=1S/C16H15FN4O2S/c1-12(17)13-5-7-14(8-6-13)24(22,23)20-16-9-11-19-21(16)15-4-2-3-10-18-15/h2-12,20H,1H3
InChIKeyRUNWGTDYNSGOLC-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.10
Rot. Bonds5

About 4-(1-fluoroethyl)-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide

4-(1-fluoroethyl)-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide (PubChem CID 90285721) has the molecular formula C16H15FN4O2S and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-(1-fluoroethyl)-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1-fluoroethyl)-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide
PubChem CID90285721
Molecular FormulaC16H15FN4O2S
Molecular Weight346.39 g/mol
Exact Mass346.09
IUPAC Name4-(1-fluoroethyl)-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide
SMILESCC(F)c1ccc(S(=O)(=O)Nc2ccnn2-c2ccccn2)cc1
InChIInChI=1S/C16H15FN4O2S/c1-12(17)13-5-7-14(8-6-13)24(22,23)20-16-9-11-19-21(16)15-4-2-3-10-18-15/h2-12,20H,1H3
InChIKeyRUNWGTDYNSGOLC-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoroethyl)-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-(1-fluoroethyl)-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide (CID 90285721) is 4-(1-fluoroethyl)-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(1-fluoroethyl)-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(1-fluoroethyl)-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide is CC(F)c1ccc(S(=O)(=O)Nc2ccnn2-c2ccccn2)cc1.
What is the InChIKey of 4-(1-fluoroethyl)-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is RUNWGTDYNSGOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2S/c1-12(17)13-5-7-14(8-6-13)24(22,23)20-16-9-11-19-21(16)15-4-2-3-10-18-15/h2-12,20H,1H3.
What are the key properties of 4-(1-fluoroethyl)-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide?
4-(1-fluoroethyl)-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 346.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoroethyl)-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 90285721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).