N-[4-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]sulfonylphenyl]acetamide

C18H18ClN3O4S — CID 110657466

IUPACN-[4-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCNC(=O)C2c2ccccc2Cl)cc1
InChIInChI=1S/C18H18ClN3O4S/c1-12(23)21-13-6-8-14(9-7-13)27(25,26)22-11-10-20-18(24)17(22)15-4-2-3-5-16(15)19/h2-9,17H,10-11H2,1H3,(H,20,24)(H,21,23)
InChIKeyPCNNYKBQDXHPAH-UHFFFAOYSA-N
MW407.88 g/mol
LogP2.16
Rot. Bonds4

About N-[4-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]sulfonylphenyl]acetamide

N-[4-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]sulfonylphenyl]acetamide (PubChem CID 110657466) has the molecular formula C18H18ClN3O4S and a molecular weight of 407.88 g/mol. Its IUPAC name is N-[4-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]sulfonylphenyl]acetamide
PubChem CID110657466
Molecular FormulaC18H18ClN3O4S
Molecular Weight407.88 g/mol
Exact Mass407.07
IUPAC NameN-[4-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCNC(=O)C2c2ccccc2Cl)cc1
InChIInChI=1S/C18H18ClN3O4S/c1-12(23)21-13-6-8-14(9-7-13)27(25,26)22-11-10-20-18(24)17(22)15-4-2-3-5-16(15)19/h2-9,17H,10-11H2,1H3,(H,20,24)(H,21,23)
InChIKeyPCNNYKBQDXHPAH-UHFFFAOYSA-N
XLogP2.16
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.88
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazin-2-one
CID 110657427
3-(2-chlorophenyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazin-2-one
CID 110657437
3-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazin-2-one
CID 110657445
N-[4-[[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide
CID 1084397
4-(3,4-dichlorophenyl)sulfonyl-3-(2-methylphenyl)piperazin-2-one
CID 110657267
3-(2-chlorophenyl)-4-propylsulfonylpiperazin-2-one
CID 110657423
3-(2-chlorophenyl)-4-(4-piperidin-1-ylsulfonylbenzoyl)piperazin-2-one
CID 110657373
N-[4-[(2R)-3-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 40933065
2-[(2S)-1-(4-acetamidophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(2-methoxyphenyl)acetamide
CID 51718679
4-(3-acetylphenyl)sulfonyl-3-(2-fluorophenyl)piperazin-2-one
CID 110657138
4-butanoyl-3-(2-chlorophenyl)piperazin-2-one
CID 110657325
N-[4-[(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]phenyl]acetamide
CID 110750745

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]sulfonylphenyl]acetamide (CID 110657466) is N-[4-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCNC(=O)C2c2ccccc2Cl)cc1.
What is the InChIKey of N-[4-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is PCNNYKBQDXHPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O4S/c1-12(23)21-13-6-8-14(9-7-13)27(25,26)22-11-10-20-18(24)17(22)15-4-2-3-5-16(15)19/h2-9,17H,10-11H2,1H3,(H,20,24)(H,21,23).
What are the key properties of N-[4-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]sulfonylphenyl]acetamide?
N-[4-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 407.88 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 110657466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).