4-(2,5-dichlorophenyl)-N,N-dimethylpiperazine-1-sulfonamide

C12H17Cl2N3O2S — CID 849896

IUPAC4-(2,5-dichlorophenyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C12H17Cl2N3O2S/c1-15(2)20(18,19)17-7-5-16(6-8-17)12-9-10(13)3-4-11(12)14/h3-4,9H,5-8H2,1-2H3
InChIKeyYHGSAOSZFWTROQ-UHFFFAOYSA-N
MW338.26 g/mol
LogP1.92
Rot. Bonds3

About 4-(2,5-dichlorophenyl)-N,N-dimethylpiperazine-1-sulfonamide

4-(2,5-dichlorophenyl)-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 849896) has the molecular formula C12H17Cl2N3O2S and a molecular weight of 338.26 g/mol. Its IUPAC name is 4-(2,5-dichlorophenyl)-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(2,5-dichlorophenyl)-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID849896
Molecular FormulaC12H17Cl2N3O2S
Molecular Weight338.26 g/mol
Exact Mass337.04
IUPAC Name4-(2,5-dichlorophenyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C12H17Cl2N3O2S/c1-15(2)20(18,19)17-7-5-16(6-8-17)12-9-10(13)3-4-11(12)14/h3-4,9H,5-8H2,1-2H3
InChIKeyYHGSAOSZFWTROQ-UHFFFAOYSA-N
XLogP1.92
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazinium chloride
CID 13035120
1-(3-Chlorophenyl)-4-hexylpiperazine
CID 610696
1-(3-Chloro-phenyl)-4-pentyl-piperazine
CID 14960350
1-(3-Chlorophenyl)-4-(3-chloropropyl)-piperazine
CID 101444
1-(3-Chlorophenyl)-4-octylpiperazine
CID 14960355
1-(2-Chlorophenyl)-4-hexylpiperazine
CID 3696771
Piperazine, 1-(3-chlorophenyl)-4-methyl-
CID 14960351
1-(3-Chloro-phenyl)-4-ethyl-piperazine
CID 14960352
1-(3-Chlorophenyl)-4-propylpiperazine
CID 14960353
1-Butyl-4-(3-chloro-phenyl)-piperazine
CID 14960354
1-(3-Chloro-phenyl)-4-isopropyl-piperazine
CID 14960356
1-(2,3-Dichlorophenyl)-4-methylpiperazine
CID 15356306

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorophenyl)-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-(2,5-dichlorophenyl)-N,N-dimethylpiperazine-1-sulfonamide (CID 849896) is 4-(2,5-dichlorophenyl)-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(2,5-dichlorophenyl)-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(2,5-dichlorophenyl)-N,N-dimethylpiperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 4-(2,5-dichlorophenyl)-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is YHGSAOSZFWTROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N3O2S/c1-15(2)20(18,19)17-7-5-16(6-8-17)12-9-10(13)3-4-11(12)14/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 4-(2,5-dichlorophenyl)-N,N-dimethylpiperazine-1-sulfonamide?
4-(2,5-dichlorophenyl)-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 338.26 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorophenyl)-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 849896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).