2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-chloro-4-cyanophenyl)acetamide

C19H19ClN4O3S — CID 9104928

IUPAC2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-chloro-4-cyanophenyl)acetamide
SMILESN#Cc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1Cl
InChIInChI=1S/C19H19ClN4O3S/c20-18-12-16(7-6-15(18)13-21)22-19(25)14-23-8-10-24(11-9-23)28(26,27)17-4-2-1-3-5-17/h1-7,12H,8-11,14H2,(H,22,25)
InChIKeyHUSSFTUYTKKXJH-UHFFFAOYSA-N
MW418.91 g/mol
LogP2.16
Rot. Bonds5

About 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-chloro-4-cyanophenyl)acetamide

2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-chloro-4-cyanophenyl)acetamide (PubChem CID 9104928) has the molecular formula C19H19ClN4O3S and a molecular weight of 418.91 g/mol. Its IUPAC name is 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-chloro-4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-chloro-4-cyanophenyl)acetamide
PubChem CID9104928
Molecular FormulaC19H19ClN4O3S
Molecular Weight418.91 g/mol
Exact Mass418.09
IUPAC Name2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-chloro-4-cyanophenyl)acetamide
SMILESN#Cc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1Cl
InChIInChI=1S/C19H19ClN4O3S/c20-18-12-16(7-6-15(18)13-21)22-19(25)14-23-8-10-24(11-9-23)28(26,27)17-4-2-1-3-5-17/h1-7,12H,8-11,14H2,(H,22,25)
InChIKeyHUSSFTUYTKKXJH-UHFFFAOYSA-N
XLogP2.16
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.91
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-cyanophenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 2096822
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 2655574
2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide
CID 2117238
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 17024298
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
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-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide
CID 31991565
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-(3-chloro-4-cyanophenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 46807779

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-chloro-4-cyanophenyl)acetamide?
The IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-chloro-4-cyanophenyl)acetamide (CID 9104928) is 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-chloro-4-cyanophenyl)acetamide.
What is the SMILES notation for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-chloro-4-cyanophenyl)acetamide?
The canonical SMILES for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-chloro-4-cyanophenyl)acetamide is N#Cc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1Cl.
What is the InChIKey of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-chloro-4-cyanophenyl)acetamide?
The InChIKey is HUSSFTUYTKKXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3S/c20-18-12-16(7-6-15(18)13-21)22-19(25)14-23-8-10-24(11-9-23)28(26,27)17-4-2-1-3-5-17/h1-7,12H,8-11,14H2,(H,22,25).
What are the key properties of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-chloro-4-cyanophenyl)acetamide?
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-chloro-4-cyanophenyl)acetamide has a molecular weight of 418.91 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-chloro-4-cyanophenyl)acetamide is sourced from PubChem (CID 9104928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).