N,N-dimethyl-3-(2-methylpiperazin-1-yl)sulfonylbenzamide;hydrochloride

C14H22ClN3O3S — CID 119969871

IUPACN,N-dimethyl-3-(2-methylpiperazin-1-yl)sulfonylbenzamide;hydrochloride
SMILESCC1CNCCN1S(=O)(=O)c1cccc(C(=O)N(C)C)c1.Cl
InChIInChI=1S/C14H21N3O3S.ClH/c1-11-10-15-7-8-17(11)21(19,20)13-6-4-5-12(9-13)14(18)16(2)3;/h4-6,9,11,15H,7-8,10H2,1-3H3;1H
InChIKeyQIXMBKQCQZIWMV-UHFFFAOYSA-N
MW347.87 g/mol
LogP0.79
Rot. Bonds3

About N,N-dimethyl-3-(2-methylpiperazin-1-yl)sulfonylbenzamide;hydrochloride

N,N-dimethyl-3-(2-methylpiperazin-1-yl)sulfonylbenzamide;hydrochloride (PubChem CID 119969871) has the molecular formula C14H22ClN3O3S and a molecular weight of 347.87 g/mol. Its IUPAC name is N,N-dimethyl-3-(2-methylpiperazin-1-yl)sulfonylbenzamide;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-3-(2-methylpiperazin-1-yl)sulfonylbenzamide;hydrochloride
PubChem CID119969871
Molecular FormulaC14H22ClN3O3S
Molecular Weight347.87 g/mol
Exact Mass347.11
IUPAC NameN,N-dimethyl-3-(2-methylpiperazin-1-yl)sulfonylbenzamide;hydrochloride
SMILESCC1CNCCN1S(=O)(=O)c1cccc(C(=O)N(C)C)c1.Cl
InChIInChI=1S/C14H21N3O3S.ClH/c1-11-10-15-7-8-17(11)21(19,20)13-6-4-5-12(9-13)14(18)16(2)3;/h4-6,9,11,15H,7-8,10H2,1-3H3;1H
InChIKeyQIXMBKQCQZIWMV-UHFFFAOYSA-N
XLogP0.79
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2-methylpiperazin-1-yl)sulfonylbenzoate
CID 62673312
(2S)-2-methyl-1-(3-methylphenyl)sulfonylpiperazine
CID 82755571
3-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]-N,N-dimethylbenzamide;hydrochloride
CID 120665509
(2S)-1-(3-chlorophenyl)sulfonyl-2-methylpiperazine
CID 82755471
(2R)-1-(3,4-dimethylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716906
2-methyl-1-(3-nitrophenyl)sulfonylpiperazine
CID 62672435
3-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-N,N-dimethylbenzamide;hydrochloride
CID 119989345
N-methyl-4-(2-methylpiperazin-1-yl)sulfonylbenzamide;hydrochloride
CID 119969796
(2R)-2-methyl-1-(4-methylsulfonylphenyl)sulfonylpiperazine;hydrochloride
CID 120716978
2-methyl-1-(4-methylphenyl)sulfonylpiperazine;hydrochloride
CID 119969701
(2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716815
N-methyl-4-[(2R)-2-methylpiperazin-1-yl]sulfonylbenzamide
CID 82755291

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(2-methylpiperazin-1-yl)sulfonylbenzamide;hydrochloride?
The IUPAC name of N,N-dimethyl-3-(2-methylpiperazin-1-yl)sulfonylbenzamide;hydrochloride (CID 119969871) is N,N-dimethyl-3-(2-methylpiperazin-1-yl)sulfonylbenzamide;hydrochloride.
What is the SMILES notation for N,N-dimethyl-3-(2-methylpiperazin-1-yl)sulfonylbenzamide;hydrochloride?
The canonical SMILES for N,N-dimethyl-3-(2-methylpiperazin-1-yl)sulfonylbenzamide;hydrochloride is CC1CNCCN1S(=O)(=O)c1cccc(C(=O)N(C)C)c1.Cl.
What is the InChIKey of N,N-dimethyl-3-(2-methylpiperazin-1-yl)sulfonylbenzamide;hydrochloride?
The InChIKey is QIXMBKQCQZIWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S.ClH/c1-11-10-15-7-8-17(11)21(19,20)13-6-4-5-12(9-13)14(18)16(2)3;/h4-6,9,11,15H,7-8,10H2,1-3H3;1H.
What are the key properties of N,N-dimethyl-3-(2-methylpiperazin-1-yl)sulfonylbenzamide;hydrochloride?
N,N-dimethyl-3-(2-methylpiperazin-1-yl)sulfonylbenzamide;hydrochloride has a molecular weight of 347.87 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(2-methylpiperazin-1-yl)sulfonylbenzamide;hydrochloride is sourced from PubChem (CID 119969871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).