N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]propane-1-sulfonamide

C15H24ClN3O4S2 — CID 18565499

IUPACN-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H24ClN3O4S2/c1-2-11-24(20,21)17-6-12-25(22,23)19-9-7-18(8-10-19)15-5-3-4-14(16)13-15/h3-5,13,17H,2,6-12H2,1H3
InChIKeyDAQGFFNWUJYOHW-UHFFFAOYSA-N
MW409.96 g/mol
LogP1.12
Rot. Bonds8

About N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]propane-1-sulfonamide

N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]propane-1-sulfonamide (PubChem CID 18565499) has the molecular formula C15H24ClN3O4S2 and a molecular weight of 409.96 g/mol. Its IUPAC name is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]propane-1-sulfonamide
PubChem CID18565499
Molecular FormulaC15H24ClN3O4S2
Molecular Weight409.96 g/mol
Exact Mass409.09
IUPAC NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H24ClN3O4S2/c1-2-11-24(20,21)17-6-12-25(22,23)19-9-7-18(8-10-19)15-5-3-4-14(16)13-15/h3-5,13,17H,2,6-12H2,1H3
InChIKeyDAQGFFNWUJYOHW-UHFFFAOYSA-N
XLogP1.12
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.96
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]propane-1-sulfonamide 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 N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]propane-1-sulfonamide (CID 18565499) is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]propane-1-sulfonamide?
The InChIKey is DAQGFFNWUJYOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O4S2/c1-2-11-24(20,21)17-6-12-25(22,23)19-9-7-18(8-10-19)15-5-3-4-14(16)13-15/h3-5,13,17H,2,6-12H2,1H3.
What are the key properties of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]propane-1-sulfonamide?
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]propane-1-sulfonamide has a molecular weight of 409.96 g/mol, XLogP of 1.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]propane-1-sulfonamide is sourced from PubChem (CID 18565499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).