3-[3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-4-methyl-1,3-thiazol-2-one

C17H19Cl2N3O4S2 — CID 27163542

IUPAC3-[3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C17H19Cl2N3O4S2/c1-12-11-27-17(24)22(12)6-5-15(23)20-7-9-21(10-8-20)28(25,26)14-4-2-3-13(18)16(14)19/h2-4,11H,5-10H2,1H3
InChIKeyKMVRHECBLPTBLJ-UHFFFAOYSA-N
MW464.40 g/mol
LogP2.45
Rot. Bonds5

About 3-[3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-4-methyl-1,3-thiazol-2-one

3-[3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-4-methyl-1,3-thiazol-2-one (PubChem CID 27163542) has the molecular formula C17H19Cl2N3O4S2 and a molecular weight of 464.40 g/mol. Its IUPAC name is 3-[3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-4-methyl-1,3-thiazol-2-one
PubChem CID27163542
Molecular FormulaC17H19Cl2N3O4S2
Molecular Weight464.40 g/mol
Exact Mass463.02
IUPAC Name3-[3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C17H19Cl2N3O4S2/c1-12-11-27-17(24)22(12)6-5-15(23)20-7-9-21(10-8-20)28(25,26)14-4-2-3-13(18)16(14)19/h2-4,11H,5-10H2,1H3
InChIKeyKMVRHECBLPTBLJ-UHFFFAOYSA-N
XLogP2.45
TPSA79.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.40
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-4-methyl-1,3-thiazol-2-one with MolForge

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Related Compounds

3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 78862170
3-[3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-3-oxopropyl]-4-methyl-1,3-thiazol-2-one
CID 55490587
3-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
CID 9192798
1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 26872241
1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone
CID 39975356
ethyl 4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carboxylate
CID 26947781
1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-3-(2-methylpropoxy)propan-1-one
CID 55687787
3-amino-1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 119678970
1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 26204875
N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 27563305
1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylsulfonylpropan-1-one
CID 55702670
2-amino-1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]pentan-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-[3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-4-methyl-1,3-thiazol-2-one (CID 27163542) is 3-[3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-4-methyl-1,3-thiazol-2-one is Cc1csc(=O)n1CCC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 3-[3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-4-methyl-1,3-thiazol-2-one?
The InChIKey is KMVRHECBLPTBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O4S2/c1-12-11-27-17(24)22(12)6-5-15(23)20-7-9-21(10-8-20)28(25,26)14-4-2-3-13(18)16(14)19/h2-4,11H,5-10H2,1H3.
What are the key properties of 3-[3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-4-methyl-1,3-thiazol-2-one?
3-[3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-4-methyl-1,3-thiazol-2-one has a molecular weight of 464.40 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 27163542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).