3-(methanesulfonamido)-N,N-dimethyl-4-piperazin-1-ylbenzamide

C14H22N4O3S — CID 46333263

IUPAC3-(methanesulfonamido)-N,N-dimethyl-4-piperazin-1-ylbenzamide
SMILESCN(C)C(=O)c1ccc(N2CCNCC2)c(NS(C)(=O)=O)c1
InChIInChI=1S/C14H22N4O3S/c1-17(2)14(19)11-4-5-13(18-8-6-15-7-9-18)12(10-11)16-22(3,20)21/h4-5,10,15-16H,6-9H2,1-3H3
InChIKeyLLGBMDGQXAGULV-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.17
Rot. Bonds4

About 3-(methanesulfonamido)-N,N-dimethyl-4-piperazin-1-ylbenzamide

3-(methanesulfonamido)-N,N-dimethyl-4-piperazin-1-ylbenzamide (PubChem CID 46333263) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N,N-dimethyl-4-piperazin-1-ylbenzamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N,N-dimethyl-4-piperazin-1-ylbenzamide
PubChem CID46333263
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC Name3-(methanesulfonamido)-N,N-dimethyl-4-piperazin-1-ylbenzamide
SMILESCN(C)C(=O)c1ccc(N2CCNCC2)c(NS(C)(=O)=O)c1
InChIInChI=1S/C14H22N4O3S/c1-17(2)14(19)11-4-5-13(18-8-6-15-7-9-18)12(10-11)16-22(3,20)21/h4-5,10,15-16H,6-9H2,1-3H3
InChIKeyLLGBMDGQXAGULV-UHFFFAOYSA-N
XLogP0.17
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[3-(methanesulfonamido)-4-piperazin-1-ylbenzoyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 50788396
3-(methanesulfonamido)-N-[(3-methylphenyl)methyl]-4-piperazin-1-ylbenzamide
CID 46333797
3-(methanesulfonamido)-4-piperazin-1-yl-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 46333840
3-(methanesulfonamido)-N-(oxolan-2-ylmethyl)-4-piperazin-1-ylbenzamide
CID 46333521
3-(methanesulfonamido)-4-piperazin-1-yl-N-(pyridin-3-ylmethyl)benzamide
CID 46333576
N-[2-piperazin-1-yl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 46333257
3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-piperazin-1-ylbenzamide
CID 46333381
N-[2-piperazin-1-yl-5-(4-pyrimidin-2-yl-1,4-diazepane-1-carbonyl)phenyl]methanesulfonamide
CID 46333283
N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-piperazin-1-yl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
CID 46333492
3-[(4-methylphenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-4-piperazin-1-ylbenzamide
CID 46333292
3-[(2-fluorophenyl)sulfonylamino]-N-(2-methoxyethyl)-4-piperazin-1-ylbenzamide
CID 46333677
N-butyl-N-methyl-4-piperazin-1-yl-3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
CID 46333391

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N,N-dimethyl-4-piperazin-1-ylbenzamide?
The IUPAC name of 3-(methanesulfonamido)-N,N-dimethyl-4-piperazin-1-ylbenzamide (CID 46333263) is 3-(methanesulfonamido)-N,N-dimethyl-4-piperazin-1-ylbenzamide.
What is the SMILES notation for 3-(methanesulfonamido)-N,N-dimethyl-4-piperazin-1-ylbenzamide?
The canonical SMILES for 3-(methanesulfonamido)-N,N-dimethyl-4-piperazin-1-ylbenzamide is CN(C)C(=O)c1ccc(N2CCNCC2)c(NS(C)(=O)=O)c1.
What is the InChIKey of 3-(methanesulfonamido)-N,N-dimethyl-4-piperazin-1-ylbenzamide?
The InChIKey is LLGBMDGQXAGULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-17(2)14(19)11-4-5-13(18-8-6-15-7-9-18)12(10-11)16-22(3,20)21/h4-5,10,15-16H,6-9H2,1-3H3.
What are the key properties of 3-(methanesulfonamido)-N,N-dimethyl-4-piperazin-1-ylbenzamide?
3-(methanesulfonamido)-N,N-dimethyl-4-piperazin-1-ylbenzamide has a molecular weight of 326.42 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N,N-dimethyl-4-piperazin-1-ylbenzamide is sourced from PubChem (CID 46333263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).