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

C14H18Cl2N2O3S — CID 27563198

IUPAC1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C14H18Cl2N2O3S/c1-10(2)14(19)17-6-8-18(9-7-17)22(20,21)12-5-3-4-11(15)13(12)16/h3-5,10H,6-9H2,1-2H3
InChIKeyLKTJSMJRAOENIP-UHFFFAOYSA-N
MW365.28 g/mol
LogP2.48
Rot. Bonds3

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

1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one (PubChem CID 27563198) has the molecular formula C14H18Cl2N2O3S and a molecular weight of 365.28 g/mol. Its IUPAC name is 1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one
PubChem CID27563198
Molecular FormulaC14H18Cl2N2O3S
Molecular Weight365.28 g/mol
Exact Mass364.04
IUPAC Name1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C14H18Cl2N2O3S/c1-10(2)14(19)17-6-8-18(9-7-17)22(20,21)12-5-3-4-11(15)13(12)16/h3-5,10H,6-9H2,1-2H3
InChIKeyLKTJSMJRAOENIP-UHFFFAOYSA-N
XLogP2.48
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.28
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one (CID 27563198) is 1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is LKTJSMJRAOENIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O3S/c1-10(2)14(19)17-6-8-18(9-7-17)22(20,21)12-5-3-4-11(15)13(12)16/h3-5,10H,6-9H2,1-2H3.
What are the key properties of 1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one?
1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 365.28 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 27563198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).