4-cyano-N-[2-(4-pyridin-4-ylpiperazin-1-yl)phenyl]benzenesulfonamide

C22H21N5O2S — CID 54554515

IUPAC4-cyano-N-[2-(4-pyridin-4-ylpiperazin-1-yl)phenyl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccccc2N2CCN(c3ccncc3)CC2)cc1
InChIInChI=1S/C22H21N5O2S/c23-17-18-5-7-20(8-6-18)30(28,29)25-21-3-1-2-4-22(21)27-15-13-26(14-16-27)19-9-11-24-12-10-19/h1-12,25H,13-16H2
InChIKeyZMFIHIVRCVDTGZ-UHFFFAOYSA-N
MW419.51 g/mol
LogP3.08
Rot. Bonds5

About 4-cyano-N-[2-(4-pyridin-4-ylpiperazin-1-yl)phenyl]benzenesulfonamide

4-cyano-N-[2-(4-pyridin-4-ylpiperazin-1-yl)phenyl]benzenesulfonamide (PubChem CID 54554515) has the molecular formula C22H21N5O2S and a molecular weight of 419.51 g/mol. Its IUPAC name is 4-cyano-N-[2-(4-pyridin-4-ylpiperazin-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[2-(4-pyridin-4-ylpiperazin-1-yl)phenyl]benzenesulfonamide
PubChem CID54554515
Molecular FormulaC22H21N5O2S
Molecular Weight419.51 g/mol
Exact Mass419.14
IUPAC Name4-cyano-N-[2-(4-pyridin-4-ylpiperazin-1-yl)phenyl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccccc2N2CCN(c3ccncc3)CC2)cc1
InChIInChI=1S/C22H21N5O2S/c23-17-18-5-7-20(8-6-18)30(28,29)25-21-3-1-2-4-22(21)27-15-13-26(14-16-27)19-9-11-24-12-10-19/h1-12,25H,13-16H2
InChIKeyZMFIHIVRCVDTGZ-UHFFFAOYSA-N
XLogP3.08
TPSA89.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyano-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 2814037
4-cyano-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
CID 3856559
4-[4-(4-cyanophenyl)-1,4-diazepane-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide
CID 55720788
4-cyano-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 79043385
4-bromo-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 2435475
4-[4-(4-cyanophenyl)-1,4-diazepane-1-carbonyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 55720757
N-(4-chloro-3-pyridinyl)-4-cyanobenzenesulfonamide
CID 114051867
4-cyano-N-[4-(4-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 22220341
N-(5-cyano-2-piperidin-1-ylphenyl)-4-methylbenzenesulfonamide
CID 169372874
N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 169371936
N-[2-(4-tert-butylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 172808620
N-methyl-4-[(2-piperidin-1-ylphenyl)sulfamoyl]benzamide
CID 17496437

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-(4-pyridin-4-ylpiperazin-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[2-(4-pyridin-4-ylpiperazin-1-yl)phenyl]benzenesulfonamide (CID 54554515) is 4-cyano-N-[2-(4-pyridin-4-ylpiperazin-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[2-(4-pyridin-4-ylpiperazin-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[2-(4-pyridin-4-ylpiperazin-1-yl)phenyl]benzenesulfonamide is N#Cc1ccc(S(=O)(=O)Nc2ccccc2N2CCN(c3ccncc3)CC2)cc1.
What is the InChIKey of 4-cyano-N-[2-(4-pyridin-4-ylpiperazin-1-yl)phenyl]benzenesulfonamide?
The InChIKey is ZMFIHIVRCVDTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2S/c23-17-18-5-7-20(8-6-18)30(28,29)25-21-3-1-2-4-22(21)27-15-13-26(14-16-27)19-9-11-24-12-10-19/h1-12,25H,13-16H2.
What are the key properties of 4-cyano-N-[2-(4-pyridin-4-ylpiperazin-1-yl)phenyl]benzenesulfonamide?
4-cyano-N-[2-(4-pyridin-4-ylpiperazin-1-yl)phenyl]benzenesulfonamide has a molecular weight of 419.51 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-(4-pyridin-4-ylpiperazin-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 54554515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).