4-(3,5-dimethylpiperazin-1-yl)sulfonylbenzamide;hydrochloride

C13H20ClN3O3S — CID 119980481

IUPAC4-(3,5-dimethylpiperazin-1-yl)sulfonylbenzamide;hydrochloride
SMILESCC1CN(S(=O)(=O)c2ccc(C(N)=O)cc2)CC(C)N1.Cl
InChIInChI=1S/C13H19N3O3S.ClH/c1-9-7-16(8-10(2)15-9)20(18,19)12-5-3-11(4-6-12)13(14)17;/h3-6,9-10,15H,7-8H2,1-2H3,(H2,14,17);1H
InChIKeyLGCLXEQMNDAKET-UHFFFAOYSA-N
MW333.84 g/mol
LogP0.58
Rot. Bonds3

About 4-(3,5-dimethylpiperazin-1-yl)sulfonylbenzamide;hydrochloride

4-(3,5-dimethylpiperazin-1-yl)sulfonylbenzamide;hydrochloride (PubChem CID 119980481) has the molecular formula C13H20ClN3O3S and a molecular weight of 333.84 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperazin-1-yl)sulfonylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-(3,5-dimethylpiperazin-1-yl)sulfonylbenzamide;hydrochloride
PubChem CID119980481
Molecular FormulaC13H20ClN3O3S
Molecular Weight333.84 g/mol
Exact Mass333.09
IUPAC Name4-(3,5-dimethylpiperazin-1-yl)sulfonylbenzamide;hydrochloride
SMILESCC1CN(S(=O)(=O)c2ccc(C(N)=O)cc2)CC(C)N1.Cl
InChIInChI=1S/C13H19N3O3S.ClH/c1-9-7-16(8-10(2)15-9)20(18,19)12-5-3-11(4-6-12)13(14)17;/h3-6,9-10,15H,7-8H2,1-2H3,(H2,14,17);1H
InChIKeyLGCLXEQMNDAKET-UHFFFAOYSA-N
XLogP0.58
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-1-(4-propan-2-ylphenyl)sulfonylpiperazine;hydrochloride
CID 119980534
1-(4-ethylphenyl)sulfonyl-3,5-dimethylpiperazine;hydrochloride
CID 119980583
4-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)benzamide
CID 115314215
3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 63872528
4-piperazin-1-ylsulfonylbenzamide
CID 7131265
3,5-dimethyl-1-(4-propylphenyl)sulfonylpiperazine
CID 63871954
3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]sulfonylbenzoic acid
CID 141107133
1-[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]ethanone
CID 79036967
4-[3-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide;hydrochloride
CID 119984385
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3,5-dimethylpiperazine;hydrochloride
CID 119980558
4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide
CID 63597099
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 2049561

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperazin-1-yl)sulfonylbenzamide;hydrochloride?
The IUPAC name of 4-(3,5-dimethylpiperazin-1-yl)sulfonylbenzamide;hydrochloride (CID 119980481) is 4-(3,5-dimethylpiperazin-1-yl)sulfonylbenzamide;hydrochloride.
What is the SMILES notation for 4-(3,5-dimethylpiperazin-1-yl)sulfonylbenzamide;hydrochloride?
The canonical SMILES for 4-(3,5-dimethylpiperazin-1-yl)sulfonylbenzamide;hydrochloride is CC1CN(S(=O)(=O)c2ccc(C(N)=O)cc2)CC(C)N1.Cl.
What is the InChIKey of 4-(3,5-dimethylpiperazin-1-yl)sulfonylbenzamide;hydrochloride?
The InChIKey is LGCLXEQMNDAKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S.ClH/c1-9-7-16(8-10(2)15-9)20(18,19)12-5-3-11(4-6-12)13(14)17;/h3-6,9-10,15H,7-8H2,1-2H3,(H2,14,17);1H.
What are the key properties of 4-(3,5-dimethylpiperazin-1-yl)sulfonylbenzamide;hydrochloride?
4-(3,5-dimethylpiperazin-1-yl)sulfonylbenzamide;hydrochloride has a molecular weight of 333.84 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperazin-1-yl)sulfonylbenzamide;hydrochloride is sourced from PubChem (CID 119980481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).