N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3-chlorophenyl)methanesulfonamide

C20H24ClN3O3S — CID 2897602

IUPACN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3-chlorophenyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCN(Cc2ccccc2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C20H24ClN3O3S/c1-28(26,27)24(19-9-5-8-18(21)14-19)16-20(25)23-12-10-22(11-13-23)15-17-6-3-2-4-7-17/h2-9,14H,10-13,15-16H2,1H3
InChIKeyUVAGKERVSFRILJ-UHFFFAOYSA-N
MW421.95 g/mol
LogP2.45
Rot. Bonds6

About N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3-chlorophenyl)methanesulfonamide

N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3-chlorophenyl)methanesulfonamide (PubChem CID 2897602) has the molecular formula C20H24ClN3O3S and a molecular weight of 421.95 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3-chlorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3-chlorophenyl)methanesulfonamide
PubChem CID2897602
Molecular FormulaC20H24ClN3O3S
Molecular Weight421.95 g/mol
Exact Mass421.12
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3-chlorophenyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCN(Cc2ccccc2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C20H24ClN3O3S/c1-28(26,27)24(19-9-5-8-18(21)14-19)16-20(25)23-12-10-22(11-13-23)15-17-6-3-2-4-7-17/h2-9,14H,10-13,15-16H2,1H3
InChIKeyUVAGKERVSFRILJ-UHFFFAOYSA-N
XLogP2.45
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.95
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3-chlorophenyl)methanesulfonamide 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-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3-chlorophenyl)methanesulfonamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3-chlorophenyl)methanesulfonamide (CID 2897602) is N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3-chlorophenyl)methanesulfonamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3-chlorophenyl)methanesulfonamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3-chlorophenyl)methanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCN(Cc2ccccc2)CC1)c1cccc(Cl)c1.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3-chlorophenyl)methanesulfonamide?
The InChIKey is UVAGKERVSFRILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3S/c1-28(26,27)24(19-9-5-8-18(21)14-19)16-20(25)23-12-10-22(11-13-23)15-17-6-3-2-4-7-17/h2-9,14H,10-13,15-16H2,1H3.
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3-chlorophenyl)methanesulfonamide?
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3-chlorophenyl)methanesulfonamide has a molecular weight of 421.95 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3-chlorophenyl)methanesulfonamide is sourced from PubChem (CID 2897602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).