4-[(2,6-dichlorophenyl)methyl]piperazine-1-sulfonamide

C11H15Cl2N3O2S — CID 47147117

IUPAC4-[(2,6-dichlorophenyl)methyl]piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C11H15Cl2N3O2S/c12-10-2-1-3-11(13)9(10)8-15-4-6-16(7-5-15)19(14,17)18/h1-3H,4-8H2,(H2,14,17,18)
InChIKeyQIGXYWJIGUEQEW-UHFFFAOYSA-N
MW324.23 g/mol
LogP1.31
Rot. Bonds3

About 4-[(2,6-dichlorophenyl)methyl]piperazine-1-sulfonamide

4-[(2,6-dichlorophenyl)methyl]piperazine-1-sulfonamide (PubChem CID 47147117) has the molecular formula C11H15Cl2N3O2S and a molecular weight of 324.23 g/mol. Its IUPAC name is 4-[(2,6-dichlorophenyl)methyl]piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[(2,6-dichlorophenyl)methyl]piperazine-1-sulfonamide
PubChem CID47147117
Molecular FormulaC11H15Cl2N3O2S
Molecular Weight324.23 g/mol
Exact Mass323.03
IUPAC Name4-[(2,6-dichlorophenyl)methyl]piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C11H15Cl2N3O2S/c12-10-2-1-3-11(13)9(10)8-15-4-6-16(7-5-15)19(14,17)18/h1-3H,4-8H2,(H2,14,17,18)
InChIKeyQIGXYWJIGUEQEW-UHFFFAOYSA-N
XLogP1.31
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(2,6-dichlorophenyl)methyl]piperazine-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

1-(benzenesulfonyl)-4-[(2,6-dichlorophenyl)methyl]piperazine
CID 8743546
1-[(2,6-dichlorophenyl)methyl]azepane
CID 22198064
1-[(2,6-dichlorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 1282318
1-[(4-chlorophenyl)methyl]-4-[(2,6-dichlorophenyl)methyl]piperazine
CID 22195537
4-[(4-chloro-1-methylindazol-3-yl)methyl]piperazine-1-sulfonamide
CID 77078858
1-[(2,6-dichlorophenyl)methyl]-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine
CID 22208172
1-[(2-chloro-6-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 8747347
1-[(2,6-dichlorophenyl)methyl]piperazine
CID 770796
1-benzyl-4-(2,3-dichlorophenyl)sulfonylpiperazine;hydrochloride
CID 2729556
4-[(3-fluorophenyl)methyl]piperazine-1-sulfonamide
CID 47147073
[4,7-diacetyloxy-10-[(2,6-dichlorophenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl] acetate
CID 157330337
2-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]isoindole-1,3-dione
CID 17023423

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichlorophenyl)methyl]piperazine-1-sulfonamide?
The IUPAC name of 4-[(2,6-dichlorophenyl)methyl]piperazine-1-sulfonamide (CID 47147117) is 4-[(2,6-dichlorophenyl)methyl]piperazine-1-sulfonamide.
What is the SMILES notation for 4-[(2,6-dichlorophenyl)methyl]piperazine-1-sulfonamide?
The canonical SMILES for 4-[(2,6-dichlorophenyl)methyl]piperazine-1-sulfonamide is NS(=O)(=O)N1CCN(Cc2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 4-[(2,6-dichlorophenyl)methyl]piperazine-1-sulfonamide?
The InChIKey is QIGXYWJIGUEQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3O2S/c12-10-2-1-3-11(13)9(10)8-15-4-6-16(7-5-15)19(14,17)18/h1-3H,4-8H2,(H2,14,17,18).
What are the key properties of 4-[(2,6-dichlorophenyl)methyl]piperazine-1-sulfonamide?
4-[(2,6-dichlorophenyl)methyl]piperazine-1-sulfonamide has a molecular weight of 324.23 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichlorophenyl)methyl]piperazine-1-sulfonamide is sourced from PubChem (CID 47147117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).