N,N-dimethyl-3-[(4-phenylpiperazin-1-yl)methyl]benzenesulfonamide

C19H25N3O2S — CID 27134749

IUPACN,N-dimethyl-3-[(4-phenylpiperazin-1-yl)methyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(CN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C19H25N3O2S/c1-20(2)25(23,24)19-10-6-7-17(15-19)16-21-11-13-22(14-12-21)18-8-4-3-5-9-18/h3-10,15H,11-14,16H2,1-2H3
InChIKeyMLSQFROAIYBCFG-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.26
Rot. Bonds5

About N,N-dimethyl-3-[(4-phenylpiperazin-1-yl)methyl]benzenesulfonamide

N,N-dimethyl-3-[(4-phenylpiperazin-1-yl)methyl]benzenesulfonamide (PubChem CID 27134749) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N,N-dimethyl-3-[(4-phenylpiperazin-1-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(4-phenylpiperazin-1-yl)methyl]benzenesulfonamide
PubChem CID27134749
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN,N-dimethyl-3-[(4-phenylpiperazin-1-yl)methyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(CN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C19H25N3O2S/c1-20(2)25(23,24)19-10-6-7-17(15-19)16-21-11-13-22(14-12-21)18-8-4-3-5-9-18/h3-10,15H,11-14,16H2,1-2H3
InChIKeyMLSQFROAIYBCFG-UHFFFAOYSA-N
XLogP2.26
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 27159090
N,N-dimethyl-3-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzenesulfonamide
CID 134055383
N-benzyl-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]benzenesulfonamide
CID 59826329
N,N-dimethyl-3-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methyl]benzenesulfonamide
CID 78847044
3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 29430254
1-[(4-methylsulfonylphenyl)methyl]-4-phenylpiperazine
CID 141118596
N-(2-chlorophenyl)-2-[4-[[3-(dimethylsulfamoyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 29162437
1-[(3-nitrophenyl)methyl]-4-phenylpiperazine
CID 765516
3-[(3,5-dimethylpiperazin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 119923881
3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide
CID 114681418
3-[(4-phenylpiperazin-1-yl)methyl]benzonitrile
CID 3846774
3-(4-benzylpiperazin-1-yl)-N,N-dimethylaniline
CID 110454866

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(4-phenylpiperazin-1-yl)methyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-[(4-phenylpiperazin-1-yl)methyl]benzenesulfonamide (CID 27134749) is N,N-dimethyl-3-[(4-phenylpiperazin-1-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[(4-phenylpiperazin-1-yl)methyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-[(4-phenylpiperazin-1-yl)methyl]benzenesulfonamide is CN(C)S(=O)(=O)c1cccc(CN2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of N,N-dimethyl-3-[(4-phenylpiperazin-1-yl)methyl]benzenesulfonamide?
The InChIKey is MLSQFROAIYBCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-20(2)25(23,24)19-10-6-7-17(15-19)16-21-11-13-22(14-12-21)18-8-4-3-5-9-18/h3-10,15H,11-14,16H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[(4-phenylpiperazin-1-yl)methyl]benzenesulfonamide?
N,N-dimethyl-3-[(4-phenylpiperazin-1-yl)methyl]benzenesulfonamide has a molecular weight of 359.50 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(4-phenylpiperazin-1-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 27134749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).