4-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]-1-methylquinolin-2-one

C21H20ClN3O4S — CID 55754602

IUPAC4-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]-1-methylquinolin-2-one
SMILESCn1c(=O)cc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c2ccccc21
InChIInChI=1S/C21H20ClN3O4S/c1-23-19-8-3-2-7-17(19)18(14-20(23)26)21(27)24-9-11-25(12-10-24)30(28,29)16-6-4-5-15(22)13-16/h2-8,13-14H,9-12H2,1H3
InChIKeyDUIDGBHWSGFTIO-UHFFFAOYSA-N
MW445.93 g/mol
LogP2.34
Rot. Bonds3

About 4-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]-1-methylquinolin-2-one

4-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]-1-methylquinolin-2-one (PubChem CID 55754602) has the molecular formula C21H20ClN3O4S and a molecular weight of 445.93 g/mol. Its IUPAC name is 4-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]-1-methylquinolin-2-one
PubChem CID55754602
Molecular FormulaC21H20ClN3O4S
Molecular Weight445.93 g/mol
Exact Mass445.09
IUPAC Name4-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]-1-methylquinolin-2-one
SMILESCn1c(=O)cc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c2ccccc21
InChIInChI=1S/C21H20ClN3O4S/c1-23-19-8-3-2-7-17(19)18(14-20(23)26)21(27)24-9-11-25(12-10-24)30(28,29)16-6-4-5-15(22)13-16/h2-8,13-14H,9-12H2,1H3
InChIKeyDUIDGBHWSGFTIO-UHFFFAOYSA-N
XLogP2.34
TPSA79.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.93
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]quinolin-2-one
CID 55755455
1-methyl-4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)quinolin-2-one
CID 46979096
[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-(2,3-dichlorophenyl)methanone
CID 27562409
4-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-1-methylquinolin-2-one
CID 55761742
N-[1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 55790694
[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 31852143
(5-bromo-2-hydroxyphenyl)-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 27163262
2-[4-(1-methyl-2-oxoquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 55759278
(4-chloro-2-nitrophenyl)-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 27562395
[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(2,4-dichlorophenyl)methanone
CID 27829270
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 55791911
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-naphthalen-1-ylmethanone
CID 1072073

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]-1-methylquinolin-2-one?
The IUPAC name of 4-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]-1-methylquinolin-2-one (CID 55754602) is 4-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]-1-methylquinolin-2-one.
What is the SMILES notation for 4-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]-1-methylquinolin-2-one?
The canonical SMILES for 4-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]-1-methylquinolin-2-one is Cn1c(=O)cc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c2ccccc21.
What is the InChIKey of 4-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]-1-methylquinolin-2-one?
The InChIKey is DUIDGBHWSGFTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O4S/c1-23-19-8-3-2-7-17(19)18(14-20(23)26)21(27)24-9-11-25(12-10-24)30(28,29)16-6-4-5-15(22)13-16/h2-8,13-14H,9-12H2,1H3.
What are the key properties of 4-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]-1-methylquinolin-2-one?
4-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]-1-methylquinolin-2-one has a molecular weight of 445.93 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]-1-methylquinolin-2-one is sourced from PubChem (CID 55754602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).