N-methyl-4-(2-methylpiperazin-1-yl)sulfonylbenzamide;hydrochloride

C13H20ClN3O3S — CID 119969796

IUPACN-methyl-4-(2-methylpiperazin-1-yl)sulfonylbenzamide;hydrochloride
SMILESCNC(=O)c1ccc(S(=O)(=O)N2CCNCC2C)cc1.Cl
InChIInChI=1S/C13H19N3O3S.ClH/c1-10-9-15-7-8-16(10)20(18,19)12-5-3-11(4-6-12)13(17)14-2;/h3-6,10,15H,7-9H2,1-2H3,(H,14,17);1H
InChIKeySPIXNNZZIFZYEL-UHFFFAOYSA-N
MW333.84 g/mol
LogP0.45
Rot. Bonds3

About N-methyl-4-(2-methylpiperazin-1-yl)sulfonylbenzamide;hydrochloride

N-methyl-4-(2-methylpiperazin-1-yl)sulfonylbenzamide;hydrochloride (PubChem CID 119969796) has the molecular formula C13H20ClN3O3S and a molecular weight of 333.84 g/mol. Its IUPAC name is N-methyl-4-(2-methylpiperazin-1-yl)sulfonylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-4-(2-methylpiperazin-1-yl)sulfonylbenzamide;hydrochloride
PubChem CID119969796
Molecular FormulaC13H20ClN3O3S
Molecular Weight333.84 g/mol
Exact Mass333.09
IUPAC NameN-methyl-4-(2-methylpiperazin-1-yl)sulfonylbenzamide;hydrochloride
SMILESCNC(=O)c1ccc(S(=O)(=O)N2CCNCC2C)cc1.Cl
InChIInChI=1S/C13H19N3O3S.ClH/c1-10-9-15-7-8-16(10)20(18,19)12-5-3-11(4-6-12)13(17)14-2;/h3-6,10,15H,7-9H2,1-2H3,(H,14,17);1H
InChIKeySPIXNNZZIFZYEL-UHFFFAOYSA-N
XLogP0.45
TPSA78.51 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 ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-[(2R)-2-methylpiperazin-1-yl]sulfonylbenzamide
CID 82755291
4-(2-methylpiperazin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 119970062
(2R)-2-methyl-1-(4-methylsulfonylphenyl)sulfonylpiperazine;hydrochloride
CID 120716978
2-methyl-1-(4-methylphenyl)sulfonylpiperazine;hydrochloride
CID 119969701
4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-N-methylbenzamide;hydrochloride
CID 120763352
ethyl 4-(2-methylpiperazin-1-yl)sulfonylbenzoate;hydrochloride
CID 119969997
ethyl 4-[(2R)-2-methylpiperazin-1-yl]sulfonylbenzoate;hydrochloride
CID 120716936
(2S)-1-(4-iodophenyl)sulfonyl-2-methylpiperazine
CID 82755760
N-[4-(2-methylpiperazin-1-yl)sulfonylphenyl]propanamide
CID 119969812
(2R)-1-(3,4-dimethylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716906
methyl 2-methyl-4-(2-methylpiperazin-1-yl)sulfonylbenzoate
CID 119970177
(2R)-2-methyl-1-(4-nitrophenyl)sulfonylpiperazine
CID 82755992

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methylpiperazin-1-yl)sulfonylbenzamide;hydrochloride?
The IUPAC name of N-methyl-4-(2-methylpiperazin-1-yl)sulfonylbenzamide;hydrochloride (CID 119969796) is N-methyl-4-(2-methylpiperazin-1-yl)sulfonylbenzamide;hydrochloride.
What is the SMILES notation for N-methyl-4-(2-methylpiperazin-1-yl)sulfonylbenzamide;hydrochloride?
The canonical SMILES for N-methyl-4-(2-methylpiperazin-1-yl)sulfonylbenzamide;hydrochloride is CNC(=O)c1ccc(S(=O)(=O)N2CCNCC2C)cc1.Cl.
What is the InChIKey of N-methyl-4-(2-methylpiperazin-1-yl)sulfonylbenzamide;hydrochloride?
The InChIKey is SPIXNNZZIFZYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S.ClH/c1-10-9-15-7-8-16(10)20(18,19)12-5-3-11(4-6-12)13(17)14-2;/h3-6,10,15H,7-9H2,1-2H3,(H,14,17);1H.
What are the key properties of N-methyl-4-(2-methylpiperazin-1-yl)sulfonylbenzamide;hydrochloride?
N-methyl-4-(2-methylpiperazin-1-yl)sulfonylbenzamide;hydrochloride has a molecular weight of 333.84 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methylpiperazin-1-yl)sulfonylbenzamide;hydrochloride is sourced from PubChem (CID 119969796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).