N,N-dimethyl-3-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzenesulfonamide

C19H26N4O2S — CID 134055383

IUPACN,N-dimethyl-3-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(CN2CCN(Cc3ccccn3)CC2)c1
InChIInChI=1S/C19H26N4O2S/c1-21(2)26(24,25)19-8-5-6-17(14-19)15-22-10-12-23(13-11-22)16-18-7-3-4-9-20-18/h3-9,14H,10-13,15-16H2,1-2H3
InChIKeyWJJXMGRWCFTOCL-UHFFFAOYSA-N
MW374.51 g/mol
LogP1.65
Rot. Bonds6

About N,N-dimethyl-3-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzenesulfonamide

N,N-dimethyl-3-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzenesulfonamide (PubChem CID 134055383) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is N,N-dimethyl-3-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzenesulfonamide
PubChem CID134055383
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC NameN,N-dimethyl-3-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(CN2CCN(Cc3ccccn3)CC2)c1
InChIInChI=1S/C19H26N4O2S/c1-21(2)26(24,25)19-8-5-6-17(14-19)15-22-10-12-23(13-11-22)16-18-7-3-4-9-20-18/h3-9,14H,10-13,15-16H2,1-2H3
InChIKeyWJJXMGRWCFTOCL-UHFFFAOYSA-N
XLogP1.65
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-3-[(4-phenylpiperazin-1-yl)methyl]benzenesulfonamide
CID 27134749
3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 27159090
N,N-dimethyl-3-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methyl]benzenesulfonamide
CID 78847044
N-benzyl-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]benzenesulfonamide
CID 59826329
3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 29430254
3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]sulfonylbenzonitrile
CID 46646959
N-(2-chlorophenyl)-2-[4-[[3-(dimethylsulfamoyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 29162437
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
1-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylpiperazine
CID 134017693
4-(dimethylsulfamoylamino)-1-(pyridin-2-ylmethyl)azepane
CID 70787701
3-(chloromethyl)-N,N-dimethylbenzenesulfonamide
CID 2106886

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzenesulfonamide (CID 134055383) is N,N-dimethyl-3-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzenesulfonamide is CN(C)S(=O)(=O)c1cccc(CN2CCN(Cc3ccccn3)CC2)c1.
What is the InChIKey of N,N-dimethyl-3-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzenesulfonamide?
The InChIKey is WJJXMGRWCFTOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-21(2)26(24,25)19-8-5-6-17(14-19)15-22-10-12-23(13-11-22)16-18-7-3-4-9-20-18/h3-9,14H,10-13,15-16H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzenesulfonamide?
N,N-dimethyl-3-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzenesulfonamide has a molecular weight of 374.51 g/mol, XLogP of 1.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 134055383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).