N-(3-chloro-4-cyanophenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide

C23H21ClN4O3S — CID 2096822

IUPACN-(3-chloro-4-cyanophenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide
SMILESN#Cc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1Cl
InChIInChI=1S/C23H21ClN4O3S/c24-22-14-20(7-5-19(22)15-25)26-23(29)16-27-9-11-28(12-10-27)32(30,31)21-8-6-17-3-1-2-4-18(17)13-21/h1-8,13-14H,9-12,16H2,(H,26,29)
InChIKeyQAHHCYXURPPLOU-UHFFFAOYSA-N
MW468.97 g/mol
LogP3.31
Rot. Bonds5

About N-(3-chloro-4-cyanophenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide

N-(3-chloro-4-cyanophenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide (PubChem CID 2096822) has the molecular formula C23H21ClN4O3S and a molecular weight of 468.97 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide
PubChem CID2096822
Molecular FormulaC23H21ClN4O3S
Molecular Weight468.97 g/mol
Exact Mass468.10
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide
SMILESN#Cc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1Cl
InChIInChI=1S/C23H21ClN4O3S/c24-22-14-20(7-5-19(22)15-25)26-23(29)16-27-9-11-28(12-10-27)32(30,31)21-8-6-17-3-1-2-4-18(17)13-21/h1-8,13-14H,9-12,16H2,(H,26,29)
InChIKeyQAHHCYXURPPLOU-UHFFFAOYSA-N
XLogP3.31
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.97
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-chloro-4-cyanophenyl)acetamide
CID 9104928
N-(3-chloro-4-cyanophenyl)-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide
CID 31991565
2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide
CID 2117238
N-(3-chloro-4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60966755
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(3,4-dichlorophenyl)acetamide
CID 2685654
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-naphthalen-2-ylacetamide
CID 16599046
N-(3-chloro-4-cyanophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8541968
N-(3-chloro-4-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 5043291
N-(3-chloro-4-cyanophenyl)-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide
CID 9083877
N-(3-chloro-4-cyanophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62372959
N-(methylcarbamoyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 8743046
N-(3-chloro-4-cyanophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 2698398

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide (CID 2096822) is N-(3-chloro-4-cyanophenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide is N#Cc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide?
The InChIKey is QAHHCYXURPPLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O3S/c24-22-14-20(7-5-19(22)15-25)26-23(29)16-27-9-11-28(12-10-27)32(30,31)21-8-6-17-3-1-2-4-18(17)13-21/h1-8,13-14H,9-12,16H2,(H,26,29).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide?
N-(3-chloro-4-cyanophenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide has a molecular weight of 468.97 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide is sourced from PubChem (CID 2096822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).