4-(3-chlorophenyl)-N,N-dimethylpiperazine-1-sulfonamide

C12H18ClN3O2S — CID 842568

IUPAC4-(3-chlorophenyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C12H18ClN3O2S/c1-14(2)19(17,18)16-8-6-15(7-9-16)12-5-3-4-11(13)10-12/h3-5,10H,6-9H2,1-2H3
InChIKeyYRTXZLHFSCBLDC-UHFFFAOYSA-N
MW303.81 g/mol
LogP1.27
Rot. Bonds3

About 4-(3-chlorophenyl)-N,N-dimethylpiperazine-1-sulfonamide

4-(3-chlorophenyl)-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 842568) has the molecular formula C12H18ClN3O2S and a molecular weight of 303.81 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID842568
Molecular FormulaC12H18ClN3O2S
Molecular Weight303.81 g/mol
Exact Mass303.08
IUPAC Name4-(3-chlorophenyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C12H18ClN3O2S/c1-14(2)19(17,18)16-8-6-15(7-9-16)12-5-3-4-11(13)10-12/h3-5,10H,6-9H2,1-2H3
InChIKeyYRTXZLHFSCBLDC-UHFFFAOYSA-N
XLogP1.27
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(3-chlorophenyl)-N,N-dimethylpiperazine-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-(3-Chlorophenyl)piperazine
CID 1355
1-(3-Chlorophenyl)piperazine monohydrochloride
CID 25681
1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazinium chloride
CID 13035120
1-(3-Chlorophenyl)piperazine dihydrochloride
CID 11957487
1-(3-Chlorophenyl)-4-hexylpiperazine
CID 610696
1-(3-Chloro-phenyl)-4-pentyl-piperazine
CID 14960350
1-(3-Chlorophenyl)-4-(phenylsulfonyl)piperazine
CID 710994
1-(4-Chlorophenyl)-4-hexylpiperazine
CID 3738741
1-(3-Chlorophenyl)-4-(3-chloropropyl)-piperazine
CID 101444
1-Piperazineethanol, 4-(3-chlorophenyl)-
CID 96703
Piperazine, 1-(3-chlorophenyl)-4-[(4-chlorophenyl)sulfonyl]-
CID 985376
N,N-Dimethyl-3-chloroaniline
CID 23285

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-(3-chlorophenyl)-N,N-dimethylpiperazine-1-sulfonamide (CID 842568) is 4-(3-chlorophenyl)-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(3-chlorophenyl)-N,N-dimethylpiperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 4-(3-chlorophenyl)-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is YRTXZLHFSCBLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2S/c1-14(2)19(17,18)16-8-6-15(7-9-16)12-5-3-4-11(13)10-12/h3-5,10H,6-9H2,1-2H3.
What are the key properties of 4-(3-chlorophenyl)-N,N-dimethylpiperazine-1-sulfonamide?
4-(3-chlorophenyl)-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 303.81 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 842568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).