(2,3-dichlorophenyl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone

C21H19Cl2N3O3S — CID 39276994

IUPAC(2,3-dichlorophenyl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone
SMILESCc1cnc2c(S(=O)(=O)N3CCN(C(=O)c4cccc(Cl)c4Cl)CC3)cccc2c1
InChIInChI=1S/C21H19Cl2N3O3S/c1-14-12-15-4-2-7-18(20(15)24-13-14)30(28,29)26-10-8-25(9-11-26)21(27)16-5-3-6-17(22)19(16)23/h2-7,12-13H,8-11H2,1H3
InChIKeyDBERVKZTZKKBJG-UHFFFAOYSA-N
MW464.37 g/mol
LogP4.00
Rot. Bonds3

About (2,3-dichlorophenyl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone

(2,3-dichlorophenyl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone (PubChem CID 39276994) has the molecular formula C21H19Cl2N3O3S and a molecular weight of 464.37 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone
PubChem CID39276994
Molecular FormulaC21H19Cl2N3O3S
Molecular Weight464.37 g/mol
Exact Mass463.05
IUPAC Name(2,3-dichlorophenyl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone
SMILESCc1cnc2c(S(=O)(=O)N3CCN(C(=O)c4cccc(Cl)c4Cl)CC3)cccc2c1
InChIInChI=1S/C21H19Cl2N3O3S/c1-14-12-15-4-2-7-18(20(15)24-13-14)30(28,29)26-10-8-25(9-11-26)21(27)16-5-3-6-17(22)19(16)23/h2-7,12-13H,8-11H2,1H3
InChIKeyDBERVKZTZKKBJG-UHFFFAOYSA-N
XLogP4.00
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.37
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,3-dichlorophenyl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone with MolForge

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Related Compounds

(5-bromothiophen-2-yl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone
CID 39276916
2-(4-chlorophenoxy)-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]ethanone
CID 55615112
4-amino-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]butan-1-one;hydrochloride
CID 119293056
4-amino-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]pentan-1-one
CID 120560546
3-methyl-8-(4-prop-2-ynylpiperazin-1-yl)sulfonylquinoline
CID 86989080
3-methyl-8-[4-[(4-methylphenyl)methyl]piperazin-1-yl]sulfonylquinoline
CID 37088720
2-ethyl-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]hexan-1-one
CID 55615001
3-methyl-N-[2-(piperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide
CID 31776356
1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-3-naphthalen-2-ylpropan-1-one
CID 55886043
N-(5-chloro-2-pyridinyl)-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]propanamide
CID 42957437
N,N-diethyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide
CID 33346978
(2,3-dichlorophenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone
CID 47070210

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (2,3-dichlorophenyl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone (CID 39276994) is (2,3-dichlorophenyl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (2,3-dichlorophenyl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone is Cc1cnc2c(S(=O)(=O)N3CCN(C(=O)c4cccc(Cl)c4Cl)CC3)cccc2c1.
What is the InChIKey of (2,3-dichlorophenyl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is DBERVKZTZKKBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3O3S/c1-14-12-15-4-2-7-18(20(15)24-13-14)30(28,29)26-10-8-25(9-11-26)21(27)16-5-3-6-17(22)19(16)23/h2-7,12-13H,8-11H2,1H3.
What are the key properties of (2,3-dichlorophenyl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone?
(2,3-dichlorophenyl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 464.37 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 39276994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).