N-(2-cyano-4-fluorophenyl)-1-phenylpyrazole-4-sulfonamide

C16H11FN4O2S — CID 75522425

IUPACN-(2-cyano-4-fluorophenyl)-1-phenylpyrazole-4-sulfonamide
SMILESN#Cc1cc(F)ccc1NS(=O)(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H11FN4O2S/c17-13-6-7-16(12(8-13)9-18)20-24(22,23)15-10-19-21(11-15)14-4-2-1-3-5-14/h1-8,10-11,20H
InChIKeyRMEHOLARCUMMIR-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.68
Rot. Bonds4

About N-(2-cyano-4-fluorophenyl)-1-phenylpyrazole-4-sulfonamide

N-(2-cyano-4-fluorophenyl)-1-phenylpyrazole-4-sulfonamide (PubChem CID 75522425) has the molecular formula C16H11FN4O2S and a molecular weight of 342.36 g/mol. Its IUPAC name is N-(2-cyano-4-fluorophenyl)-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-cyano-4-fluorophenyl)-1-phenylpyrazole-4-sulfonamide
PubChem CID75522425
Molecular FormulaC16H11FN4O2S
Molecular Weight342.36 g/mol
Exact Mass342.06
IUPAC NameN-(2-cyano-4-fluorophenyl)-1-phenylpyrazole-4-sulfonamide
SMILESN#Cc1cc(F)ccc1NS(=O)(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H11FN4O2S/c17-13-6-7-16(12(8-13)9-18)20-24(22,23)15-10-19-21(11-15)14-4-2-1-3-5-14/h1-8,10-11,20H
InChIKeyRMEHOLARCUMMIR-UHFFFAOYSA-N
XLogP2.68
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-fluorophenyl)-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-cyano-4-fluorophenyl)-1-phenylpyrazole-4-sulfonamide (CID 75522425) is N-(2-cyano-4-fluorophenyl)-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-cyano-4-fluorophenyl)-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-cyano-4-fluorophenyl)-1-phenylpyrazole-4-sulfonamide is N#Cc1cc(F)ccc1NS(=O)(=O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-(2-cyano-4-fluorophenyl)-1-phenylpyrazole-4-sulfonamide?
The InChIKey is RMEHOLARCUMMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O2S/c17-13-6-7-16(12(8-13)9-18)20-24(22,23)15-10-19-21(11-15)14-4-2-1-3-5-14/h1-8,10-11,20H.
What are the key properties of N-(2-cyano-4-fluorophenyl)-1-phenylpyrazole-4-sulfonamide?
N-(2-cyano-4-fluorophenyl)-1-phenylpyrazole-4-sulfonamide has a molecular weight of 342.36 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-fluorophenyl)-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 75522425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).