2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-cyanophenyl)acetamide

C19H20ClN4O3S+ — CID 9391502

IUPAC2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-cyanophenyl)acetamide
SMILESN#Cc1ccc(NC(=O)C[NH+]2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C19H19ClN4O3S/c20-17-3-1-2-4-18(17)28(26,27)24-11-9-23(10-12-24)14-19(25)22-16-7-5-15(13-21)6-8-16/h1-8H,9-12,14H2,(H,22,25)/p+1
InChIKeyNNCDSASEWILYIJ-UHFFFAOYSA-O
MW419.91 g/mol
LogP0.74
Rot. Bonds5

About 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-cyanophenyl)acetamide

2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-cyanophenyl)acetamide (PubChem CID 9391502) has the molecular formula C19H20ClN4O3S+ and a molecular weight of 419.91 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-cyanophenyl)acetamide
PubChem CID9391502
Molecular FormulaC19H20ClN4O3S+
Molecular Weight419.91 g/mol
Exact Mass419.09
IUPAC Name2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-cyanophenyl)acetamide
SMILESN#Cc1ccc(NC(=O)C[NH+]2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C19H19ClN4O3S/c20-17-3-1-2-4-18(17)28(26,27)24-11-9-23(10-12-24)14-19(25)22-16-7-5-15(13-21)6-8-16/h1-8H,9-12,14H2,(H,22,25)/p+1
InChIKeyNNCDSASEWILYIJ-UHFFFAOYSA-O
XLogP0.74
TPSA94.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.91
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-ethylphenyl)acetamide
CID 9391477
2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-cyanophenyl)acetamide
CID 8528279
N-(4-cyanophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
CID 8745828
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-5-methylhexan-2-yl]acetamide
CID 8694004
2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide
CID 9286826
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 9391491
N-(4-acetamidophenyl)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetamide
CID 8743627
1-(azocan-1-yl)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone
CID 8693910
4-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile
CID 32717171
2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(4-iodophenyl)acetamide
CID 2399038
N'-acetyl-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetohydrazide
CID 8555315
N-(4-chlorophenyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 8744593

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-cyanophenyl)acetamide?
The IUPAC name of 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-cyanophenyl)acetamide (CID 9391502) is 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-cyanophenyl)acetamide.
What is the SMILES notation for 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-cyanophenyl)acetamide?
The canonical SMILES for 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-cyanophenyl)acetamide is N#Cc1ccc(NC(=O)C[NH+]2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1.
What is the InChIKey of 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-cyanophenyl)acetamide?
The InChIKey is NNCDSASEWILYIJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H19ClN4O3S/c20-17-3-1-2-4-18(17)28(26,27)24-11-9-23(10-12-24)14-19(25)22-16-7-5-15(13-21)6-8-16/h1-8H,9-12,14H2,(H,22,25)/p+1.
What are the key properties of 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-cyanophenyl)acetamide?
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-cyanophenyl)acetamide has a molecular weight of 419.91 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-cyanophenyl)acetamide is sourced from PubChem (CID 9391502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).