1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-3-(2-methylpropoxy)propan-1-one

C17H24Cl2N2O4S — CID 55687787

IUPAC1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-3-(2-methylpropoxy)propan-1-one
SMILESCC(C)COCCC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C17H24Cl2N2O4S/c1-13(2)12-25-11-6-16(22)20-7-9-21(10-8-20)26(23,24)15-5-3-4-14(18)17(15)19/h3-5,13H,6-12H2,1-2H3
InChIKeyCBCPFVYLCCZIPA-UHFFFAOYSA-N
MW423.36 g/mol
LogP2.89
Rot. Bonds7

About 1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-3-(2-methylpropoxy)propan-1-one

1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-3-(2-methylpropoxy)propan-1-one (PubChem CID 55687787) has the molecular formula C17H24Cl2N2O4S and a molecular weight of 423.36 g/mol. Its IUPAC name is 1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-3-(2-methylpropoxy)propan-1-one.

Molecular Properties

Compound Name1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-3-(2-methylpropoxy)propan-1-one
PubChem CID55687787
Molecular FormulaC17H24Cl2N2O4S
Molecular Weight423.36 g/mol
Exact Mass422.08
IUPAC Name1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-3-(2-methylpropoxy)propan-1-one
SMILESCC(C)COCCC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C17H24Cl2N2O4S/c1-13(2)12-25-11-6-16(22)20-7-9-21(10-8-20)26(23,24)15-5-3-4-14(18)17(15)19/h3-5,13H,6-12H2,1-2H3
InChIKeyCBCPFVYLCCZIPA-UHFFFAOYSA-N
XLogP2.89
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.36
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-3-(2-methylpropoxy)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 119678970
1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-(2-methylpropoxy)propan-1-one
CID 78872388
3-(2-methylpropoxy)-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 39271680
1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone
CID 39975356
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
ethyl 4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carboxylate
CID 26947781
3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 78862170
1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylsulfonylpropan-1-one
CID 55702670
3-[3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-4-methyl-1,3-thiazol-2-one
CID 27163542
1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 26872241
2-amino-1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 119265778

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-3-(2-methylpropoxy)propan-1-one?
The IUPAC name of 1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-3-(2-methylpropoxy)propan-1-one (CID 55687787) is 1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-3-(2-methylpropoxy)propan-1-one.
What is the SMILES notation for 1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-3-(2-methylpropoxy)propan-1-one?
The canonical SMILES for 1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-3-(2-methylpropoxy)propan-1-one is CC(C)COCCC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-3-(2-methylpropoxy)propan-1-one?
The InChIKey is CBCPFVYLCCZIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2O4S/c1-13(2)12-25-11-6-16(22)20-7-9-21(10-8-20)26(23,24)15-5-3-4-14(18)17(15)19/h3-5,13H,6-12H2,1-2H3.
What are the key properties of 1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-3-(2-methylpropoxy)propan-1-one?
1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-3-(2-methylpropoxy)propan-1-one has a molecular weight of 423.36 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-3-(2-methylpropoxy)propan-1-one is sourced from PubChem (CID 55687787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).