2-methyl-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride

C14H22ClN3O3S — CID 119980179

IUPAC2-methyl-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride
SMILESCNC1CCN(S(=O)(=O)c2ccc(C)c(C(N)=O)c2)CC1.Cl
InChIInChI=1S/C14H21N3O3S.ClH/c1-10-3-4-12(9-13(10)14(15)18)21(19,20)17-7-5-11(16-2)6-8-17;/h3-4,9,11,16H,5-8H2,1-2H3,(H2,15,18);1H
InChIKeyREAXVNVBWGGNOF-UHFFFAOYSA-N
MW347.87 g/mol
LogP0.89
Rot. Bonds4

About 2-methyl-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride

2-methyl-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride (PubChem CID 119980179) has the molecular formula C14H22ClN3O3S and a molecular weight of 347.87 g/mol. Its IUPAC name is 2-methyl-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride
PubChem CID119980179
Molecular FormulaC14H22ClN3O3S
Molecular Weight347.87 g/mol
Exact Mass347.11
IUPAC Name2-methyl-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride
SMILESCNC1CCN(S(=O)(=O)c2ccc(C)c(C(N)=O)c2)CC1.Cl
InChIInChI=1S/C14H21N3O3S.ClH/c1-10-3-4-12(9-13(10)14(15)18)21(19,20)17-7-5-11(16-2)6-8-17;/h3-4,9,11,16H,5-8H2,1-2H3,(H2,15,18);1H
InChIKeyREAXVNVBWGGNOF-UHFFFAOYSA-N
XLogP0.89
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2-methylbenzamide
CID 119987776
2-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride
CID 119979778
1-(3-carbamoyl-4-methylphenyl)sulfonylpiperidine-4-carboxylic acid
CID 131963351
5-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]sulfonyl-2-methylbenzamide
CID 34100373
2-methyl-5-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 120714185
5-(4-acetylpiperazin-1-yl)sulfonyl-2-methylbenzamide
CID 46406583
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-methylbenzamide
CID 46406612
N-cyclopropyl-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28590479
2-methyl-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 1216990
1-(3,4-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119980298
N-[2-bromo-4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide;hydrochloride
CID 120710147
1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979838

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride?
The IUPAC name of 2-methyl-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride (CID 119980179) is 2-methyl-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride.
What is the SMILES notation for 2-methyl-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride?
The canonical SMILES for 2-methyl-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride is CNC1CCN(S(=O)(=O)c2ccc(C)c(C(N)=O)c2)CC1.Cl.
What is the InChIKey of 2-methyl-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride?
The InChIKey is REAXVNVBWGGNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S.ClH/c1-10-3-4-12(9-13(10)14(15)18)21(19,20)17-7-5-11(16-2)6-8-17;/h3-4,9,11,16H,5-8H2,1-2H3,(H2,15,18);1H.
What are the key properties of 2-methyl-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride?
2-methyl-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride has a molecular weight of 347.87 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride is sourced from PubChem (CID 119980179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).