4-[(2,4-dichlorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide

C13H19Cl2N3O2S — CID 34781962

IUPAC4-[(2,4-dichlorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C13H19Cl2N3O2S/c1-16(2)21(19,20)18-7-5-17(6-8-18)10-11-3-4-12(14)9-13(11)15/h3-4,9H,5-8,10H2,1-2H3
InChIKeyYUZJDPJUXKNLEJ-UHFFFAOYSA-N
MW352.29 g/mol
LogP1.92
Rot. Bonds4

About 4-[(2,4-dichlorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide

4-[(2,4-dichlorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 34781962) has the molecular formula C13H19Cl2N3O2S and a molecular weight of 352.29 g/mol. Its IUPAC name is 4-[(2,4-dichlorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[(2,4-dichlorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID34781962
Molecular FormulaC13H19Cl2N3O2S
Molecular Weight352.29 g/mol
Exact Mass351.06
IUPAC Name4-[(2,4-dichlorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C13H19Cl2N3O2S/c1-16(2)21(19,20)18-7-5-17(6-8-18)10-11-3-4-12(14)9-13(11)15/h3-4,9H,5-8,10H2,1-2H3
InChIKeyYUZJDPJUXKNLEJ-UHFFFAOYSA-N
XLogP1.92
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.29
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chlorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 34781987
1-[(2,4-dichlorophenyl)methyl]-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine
CID 22207993
1-[(2,4-dichlorophenyl)methyl]azetidine
CID 127007358
4-[(2,4-dichlorophenyl)methyl]thiomorpholine
CID 1377068
2-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-2-methylpropanethioamide
CID 63342622
4-[(2,4-dichlorophenyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 51108757
1-[(2,4-dichlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine
CID 22208018
5-chloro-2-[[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methyl]phenol
CID 167886526
[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[(3R)-1-methylsulfonylpiperidin-3-yl]methanone
CID 28559692
4-(chloromethyl)-1-[(2,4-dichlorophenyl)methyl]piperidine
CID 63387554
N,N-dimethyl-4-(quinolin-8-ylmethyl)piperazine-1-sulfonamide
CID 34787759
4-[[2-chloro-4-(dimethylsulfamoylamino)phenyl]methyl]morpholine
CID 110664361

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichlorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-[(2,4-dichlorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide (CID 34781962) is 4-[(2,4-dichlorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-[(2,4-dichlorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-[(2,4-dichlorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(Cc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 4-[(2,4-dichlorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is YUZJDPJUXKNLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N3O2S/c1-16(2)21(19,20)18-7-5-17(6-8-18)10-11-3-4-12(14)9-13(11)15/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of 4-[(2,4-dichlorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide?
4-[(2,4-dichlorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 352.29 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dichlorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 34781962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).