N-(2-cyano-3-fluorophenyl)-1H-pyrazole-4-sulfonamide

C10H7FN4O2S — CID 60916235

IUPACN-(2-cyano-3-fluorophenyl)-1H-pyrazole-4-sulfonamide
SMILESN#Cc1c(F)cccc1NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H7FN4O2S/c11-9-2-1-3-10(8(9)4-12)15-18(16,17)7-5-13-14-6-7/h1-3,5-6,15H,(H,13,14)
InChIKeyOVGHSNRTPHGUKZ-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.22
Rot. Bonds3

About N-(2-cyano-3-fluorophenyl)-1H-pyrazole-4-sulfonamide

N-(2-cyano-3-fluorophenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 60916235) has the molecular formula C10H7FN4O2S and a molecular weight of 266.26 g/mol. Its IUPAC name is N-(2-cyano-3-fluorophenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-cyano-3-fluorophenyl)-1H-pyrazole-4-sulfonamide
PubChem CID60916235
Molecular FormulaC10H7FN4O2S
Molecular Weight266.26 g/mol
Exact Mass266.03
IUPAC NameN-(2-cyano-3-fluorophenyl)-1H-pyrazole-4-sulfonamide
SMILESN#Cc1c(F)cccc1NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H7FN4O2S/c11-9-2-1-3-10(8(9)4-12)15-18(16,17)7-5-13-14-6-7/h1-3,5-6,15H,(H,13,14)
InChIKeyOVGHSNRTPHGUKZ-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-(2-cyano-3-fluorophenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-cyano-3-fluorophenyl)-1H-pyrazole-4-sulfonamide (CID 60916235) is N-(2-cyano-3-fluorophenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-cyano-3-fluorophenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-cyano-3-fluorophenyl)-1H-pyrazole-4-sulfonamide is N#Cc1c(F)cccc1NS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-(2-cyano-3-fluorophenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is OVGHSNRTPHGUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN4O2S/c11-9-2-1-3-10(8(9)4-12)15-18(16,17)7-5-13-14-6-7/h1-3,5-6,15H,(H,13,14).
What are the key properties of N-(2-cyano-3-fluorophenyl)-1H-pyrazole-4-sulfonamide?
N-(2-cyano-3-fluorophenyl)-1H-pyrazole-4-sulfonamide 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-(2-cyano-3-fluorophenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60916235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).