3-methylsulfonyl-N-piperidin-3-ylbenzamide;hydrochloride

C13H19ClN2O3S — CID 119428145

IUPAC3-methylsulfonyl-N-piperidin-3-ylbenzamide;hydrochloride
SMILESCS(=O)(=O)c1cccc(C(=O)NC2CCCNC2)c1.Cl
InChIInChI=1S/C13H18N2O3S.ClH/c1-19(17,18)12-6-2-4-10(8-12)13(16)15-11-5-3-7-14-9-11;/h2,4,6,8,11,14H,3,5,7,9H2,1H3,(H,15,16);1H
InChIKeyVFVSCLVGFVXNSQ-UHFFFAOYSA-N
MW318.83 g/mol
LogP0.99
Rot. Bonds3

About 3-methylsulfonyl-N-piperidin-3-ylbenzamide;hydrochloride

3-methylsulfonyl-N-piperidin-3-ylbenzamide;hydrochloride (PubChem CID 119428145) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 3-methylsulfonyl-N-piperidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-methylsulfonyl-N-piperidin-3-ylbenzamide;hydrochloride
PubChem CID119428145
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name3-methylsulfonyl-N-piperidin-3-ylbenzamide;hydrochloride
SMILESCS(=O)(=O)c1cccc(C(=O)NC2CCCNC2)c1.Cl
InChIInChI=1S/C13H18N2O3S.ClH/c1-19(17,18)12-6-2-4-10(8-12)13(16)15-11-5-3-7-14-9-11;/h2,4,6,8,11,14H,3,5,7,9H2,1H3,(H,15,16);1H
InChIKeyVFVSCLVGFVXNSQ-UHFFFAOYSA-N
XLogP0.99
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(azetidin-3-yl)-3-methylsulfonylbenzamide
CID 66186520
3-(cyclopentylsulfamoyl)-N-piperidin-3-ylbenzamide
CID 119424342
3-[(3-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide;hydrochloride
CID 119424807
3-[(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide
CID 119427455
N-cyclopropyl-3-methylsulfonylbenzamide
CID 18105935
N-piperidin-3-yl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
CID 119424241
3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide
CID 119424382
3-(cyclopropylsulfamoyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450174
3-[ethyl(phenyl)sulfamoyl]-N-piperidin-3-ylbenzamide
CID 119425491
3-bromo-N-piperidin-3-ylbenzamide
CID 63321592
3-(dimethylamino)-N-[(3S)-piperidin-3-yl]benzamide
CID 104982407
N-piperidin-3-ylbenzamide
CID 22017045

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-piperidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 3-methylsulfonyl-N-piperidin-3-ylbenzamide;hydrochloride (CID 119428145) is 3-methylsulfonyl-N-piperidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 3-methylsulfonyl-N-piperidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 3-methylsulfonyl-N-piperidin-3-ylbenzamide;hydrochloride is CS(=O)(=O)c1cccc(C(=O)NC2CCCNC2)c1.Cl.
What is the InChIKey of 3-methylsulfonyl-N-piperidin-3-ylbenzamide;hydrochloride?
The InChIKey is VFVSCLVGFVXNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S.ClH/c1-19(17,18)12-6-2-4-10(8-12)13(16)15-11-5-3-7-14-9-11;/h2,4,6,8,11,14H,3,5,7,9H2,1H3,(H,15,16);1H.
What are the key properties of 3-methylsulfonyl-N-piperidin-3-ylbenzamide;hydrochloride?
3-methylsulfonyl-N-piperidin-3-ylbenzamide;hydrochloride has a molecular weight of 318.83 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-piperidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119428145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).