N-(4-cyano-1H-pyrazol-5-yl)-4-fluorobenzenesulfonamide

C10H7FN4O2S — CID 4644306

IUPACN-(4-cyano-1H-pyrazol-5-yl)-4-fluorobenzenesulfonamide
SMILESN#Cc1cn[nH]c1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H7FN4O2S/c11-8-1-3-9(4-2-8)18(16,17)15-10-7(5-12)6-13-14-10/h1-4,6H,(H2,13,14,15)
InChIKeyJHEIEZXCYNALNS-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.22
Rot. Bonds3

About N-(4-cyano-1H-pyrazol-5-yl)-4-fluorobenzenesulfonamide

N-(4-cyano-1H-pyrazol-5-yl)-4-fluorobenzenesulfonamide (PubChem CID 4644306) has the molecular formula C10H7FN4O2S and a molecular weight of 266.26 g/mol. Its IUPAC name is N-(4-cyano-1H-pyrazol-5-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-cyano-1H-pyrazol-5-yl)-4-fluorobenzenesulfonamide
PubChem CID4644306
Molecular FormulaC10H7FN4O2S
Molecular Weight266.26 g/mol
Exact Mass266.03
IUPAC NameN-(4-cyano-1H-pyrazol-5-yl)-4-fluorobenzenesulfonamide
SMILESN#Cc1cn[nH]c1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H7FN4O2S/c11-8-1-3-9(4-2-8)18(16,17)15-10-7(5-12)6-13-14-10/h1-4,6H,(H2,13,14,15)
InChIKeyJHEIEZXCYNALNS-UHFFFAOYSA-N
XLogP1.22
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-4-fluorobenzenesulfonamide (CID 4644306) is N-(4-cyano-1H-pyrazol-5-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(4-cyano-1H-pyrazol-5-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(4-cyano-1H-pyrazol-5-yl)-4-fluorobenzenesulfonamide is N#Cc1cn[nH]c1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(4-cyano-1H-pyrazol-5-yl)-4-fluorobenzenesulfonamide?
The InChIKey is JHEIEZXCYNALNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN4O2S/c11-8-1-3-9(4-2-8)18(16,17)15-10-7(5-12)6-13-14-10/h1-4,6H,(H2,13,14,15).
What are the key properties of N-(4-cyano-1H-pyrazol-5-yl)-4-fluorobenzenesulfonamide?
N-(4-cyano-1H-pyrazol-5-yl)-4-fluorobenzenesulfonamide has a molecular weight of 266.26 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1H-pyrazol-5-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 4644306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).