2-(3-chlorophenyl)-N,N-diethylpiperazine-1-sulfonamide

C14H22ClN3O2S — CID 120776944

IUPAC2-(3-chlorophenyl)-N,N-diethylpiperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C14H22ClN3O2S/c1-3-17(4-2)21(19,20)18-9-8-16-11-14(18)12-6-5-7-13(15)10-12/h5-7,10,14,16H,3-4,8-9,11H2,1-2H3
InChIKeyHDXUWLAEOUQVBO-UHFFFAOYSA-N
MW331.87 g/mol
LogP1.87
Rot. Bonds5

About 2-(3-chlorophenyl)-N,N-diethylpiperazine-1-sulfonamide

2-(3-chlorophenyl)-N,N-diethylpiperazine-1-sulfonamide (PubChem CID 120776944) has the molecular formula C14H22ClN3O2S and a molecular weight of 331.87 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N,N-diethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N,N-diethylpiperazine-1-sulfonamide
PubChem CID120776944
Molecular FormulaC14H22ClN3O2S
Molecular Weight331.87 g/mol
Exact Mass331.11
IUPAC Name2-(3-chlorophenyl)-N,N-diethylpiperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C14H22ClN3O2S/c1-3-17(4-2)21(19,20)18-9-8-16-11-14(18)12-6-5-7-13(15)10-12/h5-7,10,14,16H,3-4,8-9,11H2,1-2H3
InChIKeyHDXUWLAEOUQVBO-UHFFFAOYSA-N
XLogP1.87
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-chlorophenyl)-N,N-diethylpiperazine-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,N-diethyl-2-pyridin-3-ylpiperazine-1-sulfonamide
CID 120764052
1-(benzenesulfonyl)-2-(3-chlorophenyl)piperazine
CID 120776858
2-(3-chlorophenyl)-1-(2,6-dimethoxyphenyl)sulfonylpiperazine
CID 120776752
5-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione
CID 120776788
5-[[2-(3-chlorophenyl)piperazin-1-yl]sulfonylmethyl]-3-methyl-1,2-oxazole
CID 120776934
2-(3-chlorophenyl)-1-(2,3-difluorophenyl)sulfonylpiperazine;hydrochloride
CID 120777039
2-(3-fluorophenyl)-N,N-bis(2-methoxyethyl)piperazine-1-sulfonamide;hydrochloride
CID 120765000
2-[2-(3-chlorophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 120770819
N,N-diethyl-2-(2-methoxyphenyl)piperazine-1-sulfonamide;hydrochloride
CID 120763279
2-(3-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)piperazine;hydrochloride
CID 120776793
(2R)-N,N-dimethyl-2-phenylpiperazine-1-sulfonamide
CID 94994297
4-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3-methylbenzonitrile;hydrochloride
CID 120776845

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N,N-diethylpiperazine-1-sulfonamide?
The IUPAC name of 2-(3-chlorophenyl)-N,N-diethylpiperazine-1-sulfonamide (CID 120776944) is 2-(3-chlorophenyl)-N,N-diethylpiperazine-1-sulfonamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N,N-diethylpiperazine-1-sulfonamide?
The canonical SMILES for 2-(3-chlorophenyl)-N,N-diethylpiperazine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCNCC1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N,N-diethylpiperazine-1-sulfonamide?
The InChIKey is HDXUWLAEOUQVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2S/c1-3-17(4-2)21(19,20)18-9-8-16-11-14(18)12-6-5-7-13(15)10-12/h5-7,10,14,16H,3-4,8-9,11H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-N,N-diethylpiperazine-1-sulfonamide?
2-(3-chlorophenyl)-N,N-diethylpiperazine-1-sulfonamide has a molecular weight of 331.87 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N,N-diethylpiperazine-1-sulfonamide is sourced from PubChem (CID 120776944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).