N-[1-(3-chlorophenyl)ethyl]-N-methylpiperazine-1-sulfonamide

C13H20ClN3O2S — CID 61252386

IUPACN-[1-(3-chlorophenyl)ethyl]-N-methylpiperazine-1-sulfonamide
SMILESCC(c1cccc(Cl)c1)N(C)S(=O)(=O)N1CCNCC1
InChIInChI=1S/C13H20ClN3O2S/c1-11(12-4-3-5-13(14)10-12)16(2)20(18,19)17-8-6-15-7-9-17/h3-5,10-11,15H,6-9H2,1-2H3
InChIKeyKFSCHVMBVFNJTA-UHFFFAOYSA-N
MW317.84 g/mol
LogP1.48
Rot. Bonds4

About N-[1-(3-chlorophenyl)ethyl]-N-methylpiperazine-1-sulfonamide

N-[1-(3-chlorophenyl)ethyl]-N-methylpiperazine-1-sulfonamide (PubChem CID 61252386) has the molecular formula C13H20ClN3O2S and a molecular weight of 317.84 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-N-methylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-N-methylpiperazine-1-sulfonamide
PubChem CID61252386
Molecular FormulaC13H20ClN3O2S
Molecular Weight317.84 g/mol
Exact Mass317.10
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-N-methylpiperazine-1-sulfonamide
SMILESCC(c1cccc(Cl)c1)N(C)S(=O)(=O)N1CCNCC1
InChIInChI=1S/C13H20ClN3O2S/c1-11(12-4-3-5-13(14)10-12)16(2)20(18,19)17-8-6-15-7-9-17/h3-5,10-11,15H,6-9H2,1-2H3
InChIKeyKFSCHVMBVFNJTA-UHFFFAOYSA-N
XLogP1.48
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(3-chlorophenyl)ethyl]-N-methylpiperazine-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

Related Compounds

N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,4-diazepane-1-sulfonamide
CID 62979528
N-[1-(3-chlorophenyl)ethyl]-N-methylsulfamoyl fluoride
CID 154879465
2-(3-chlorophenyl)-1-piperazin-1-ylpropan-1-one
CID 82511839
2-(3-chlorophenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
CID 58786565
4-bromo-N-[1-(3-chlorophenyl)ethyl]-N-methylbenzenesulfonamide
CID 61068098
2-(3-chlorophenyl)-3-methyl-1-piperazin-1-ylbutan-1-one
CID 119401955
1-[1-(3-chlorophenyl)ethyl]-1,4-diazepane
CID 5105220
N-[1-(3-chlorophenyl)propan-2-yl]piperazine-1-sulfonamide
CID 61253121
4-[1-(3-chlorophenyl)ethyl-methylsulfamoyl]butanoic acid
CID 61042054
N-[1-(3-chlorophenyl)ethyl]-N-methylazetidin-3-amine
CID 62979516
N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)ethanesulfonamide
CID 62983881
N-[1-(3-chlorophenyl)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63144005

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-N-methylpiperazine-1-sulfonamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-N-methylpiperazine-1-sulfonamide (CID 61252386) is N-[1-(3-chlorophenyl)ethyl]-N-methylpiperazine-1-sulfonamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-N-methylpiperazine-1-sulfonamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-N-methylpiperazine-1-sulfonamide is CC(c1cccc(Cl)c1)N(C)S(=O)(=O)N1CCNCC1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-N-methylpiperazine-1-sulfonamide?
The InChIKey is KFSCHVMBVFNJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2S/c1-11(12-4-3-5-13(14)10-12)16(2)20(18,19)17-8-6-15-7-9-17/h3-5,10-11,15H,6-9H2,1-2H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-N-methylpiperazine-1-sulfonamide?
N-[1-(3-chlorophenyl)ethyl]-N-methylpiperazine-1-sulfonamide has a molecular weight of 317.84 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-N-methylpiperazine-1-sulfonamide is sourced from PubChem (CID 61252386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).