N-(2-chlorophenyl)-2-[4-(8-methylquinolin-5-yl)sulfonylpiperazin-1-yl]acetamide

C22H23ClN4O3S — CID 55558830

IUPACN-(2-chlorophenyl)-2-[4-(8-methylquinolin-5-yl)sulfonylpiperazin-1-yl]acetamide
SMILESCc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)c2cccnc12
InChIInChI=1S/C22H23ClN4O3S/c1-16-8-9-20(17-5-4-10-24-22(16)17)31(29,30)27-13-11-26(12-14-27)15-21(28)25-19-7-3-2-6-18(19)23/h2-10H,11-15H2,1H3,(H,25,28)
InChIKeyFCBOXDGECLABDS-UHFFFAOYSA-N
MW458.97 g/mol
LogP3.14
Rot. Bonds5

About N-(2-chlorophenyl)-2-[4-(8-methylquinolin-5-yl)sulfonylpiperazin-1-yl]acetamide

N-(2-chlorophenyl)-2-[4-(8-methylquinolin-5-yl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 55558830) has the molecular formula C22H23ClN4O3S and a molecular weight of 458.97 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-(8-methylquinolin-5-yl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-(8-methylquinolin-5-yl)sulfonylpiperazin-1-yl]acetamide
PubChem CID55558830
Molecular FormulaC22H23ClN4O3S
Molecular Weight458.97 g/mol
Exact Mass458.12
IUPAC NameN-(2-chlorophenyl)-2-[4-(8-methylquinolin-5-yl)sulfonylpiperazin-1-yl]acetamide
SMILESCc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)c2cccnc12
InChIInChI=1S/C22H23ClN4O3S/c1-16-8-9-20(17-5-4-10-24-22(16)17)31(29,30)27-13-11-26(12-14-27)15-21(28)25-19-7-3-2-6-18(19)23/h2-10H,11-15H2,1H3,(H,25,28)
InChIKeyFCBOXDGECLABDS-UHFFFAOYSA-N
XLogP3.14
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.97
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(azepan-1-yl)-2-[4-(8-methylquinolin-5-yl)sulfonylpiperazin-1-yl]ethanone
CID 55560037
2-[4-(2-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 32677650
5-(4-benzylpiperazin-1-yl)sulfonyl-8-methylquinoline
CID 46634669
N,N-diethyl-2-[4-(8-methylquinolin-5-yl)sulfonylpiperazin-1-yl]acetamide
CID 55544877
N-(2-chlorophenyl)-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 165434228
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 29161450
N-(2-chlorophenyl)-2-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide
CID 78820815
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 9391486
N-(2-chlorophenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide
CID 2086351
N-(7,8-dimethylquinolin-5-yl)-2-pyrrolidin-1-ylacetamide
CID 155953753
N-(2,3-dichlorophenyl)-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27186727
N-(2-chlorophenyl)-2-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]acetamide
CID 34408005

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-(8-methylquinolin-5-yl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-(8-methylquinolin-5-yl)sulfonylpiperazin-1-yl]acetamide (CID 55558830) is N-(2-chlorophenyl)-2-[4-(8-methylquinolin-5-yl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-(8-methylquinolin-5-yl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-(8-methylquinolin-5-yl)sulfonylpiperazin-1-yl]acetamide is Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)c2cccnc12.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-(8-methylquinolin-5-yl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is FCBOXDGECLABDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3S/c1-16-8-9-20(17-5-4-10-24-22(16)17)31(29,30)27-13-11-26(12-14-27)15-21(28)25-19-7-3-2-6-18(19)23/h2-10H,11-15H2,1H3,(H,25,28).
What are the key properties of N-(2-chlorophenyl)-2-[4-(8-methylquinolin-5-yl)sulfonylpiperazin-1-yl]acetamide?
N-(2-chlorophenyl)-2-[4-(8-methylquinolin-5-yl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 458.97 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-(8-methylquinolin-5-yl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 55558830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).