N-(4-cyanophenyl)-1-phenylpyrazole-4-sulfonamide

C16H12N4O2S — CID 51093668

IUPACN-(4-cyanophenyl)-1-phenylpyrazole-4-sulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C16H12N4O2S/c17-10-13-6-8-14(9-7-13)19-23(21,22)16-11-18-20(12-16)15-4-2-1-3-5-15/h1-9,11-12,19H
InChIKeyKDPBDSCCFPCSTG-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.54
Rot. Bonds4

About N-(4-cyanophenyl)-1-phenylpyrazole-4-sulfonamide

N-(4-cyanophenyl)-1-phenylpyrazole-4-sulfonamide (PubChem CID 51093668) has the molecular formula C16H12N4O2S and a molecular weight of 324.37 g/mol. Its IUPAC name is N-(4-cyanophenyl)-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-1-phenylpyrazole-4-sulfonamide
PubChem CID51093668
Molecular FormulaC16H12N4O2S
Molecular Weight324.37 g/mol
Exact Mass324.07
IUPAC NameN-(4-cyanophenyl)-1-phenylpyrazole-4-sulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C16H12N4O2S/c17-10-13-6-8-14(9-7-13)19-23(21,22)16-11-18-20(12-16)15-4-2-1-3-5-15/h1-9,11-12,19H
InChIKeyKDPBDSCCFPCSTG-UHFFFAOYSA-N
XLogP2.54
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of N-(4-cyanophenyl)-1-phenylpyrazole-4-sulfonamide (CID 51093668) is N-(4-cyanophenyl)-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-cyanophenyl)-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for N-(4-cyanophenyl)-1-phenylpyrazole-4-sulfonamide is N#Cc1ccc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-1-phenylpyrazole-4-sulfonamide?
The InChIKey is KDPBDSCCFPCSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2S/c17-10-13-6-8-14(9-7-13)19-23(21,22)16-11-18-20(12-16)15-4-2-1-3-5-15/h1-9,11-12,19H.
What are the key properties of N-(4-cyanophenyl)-1-phenylpyrazole-4-sulfonamide?
N-(4-cyanophenyl)-1-phenylpyrazole-4-sulfonamide has a molecular weight of 324.37 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 51093668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).