4-ethylsulfonyl-N-piperidin-4-ylbenzamide;hydrochloride

C14H21ClN2O3S — CID 119389761

IUPAC4-ethylsulfonyl-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCCS(=O)(=O)c1ccc(C(=O)NC2CCNCC2)cc1.Cl
InChIInChI=1S/C14H20N2O3S.ClH/c1-2-20(18,19)13-5-3-11(4-6-13)14(17)16-12-7-9-15-10-8-12;/h3-6,12,15H,2,7-10H2,1H3,(H,16,17);1H
InChIKeyZVXYFYBQUSQJEW-UHFFFAOYSA-N
MW332.85 g/mol
LogP1.38
Rot. Bonds4

About 4-ethylsulfonyl-N-piperidin-4-ylbenzamide;hydrochloride

4-ethylsulfonyl-N-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 119389761) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 4-ethylsulfonyl-N-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-ethylsulfonyl-N-piperidin-4-ylbenzamide;hydrochloride
PubChem CID119389761
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name4-ethylsulfonyl-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCCS(=O)(=O)c1ccc(C(=O)NC2CCNCC2)cc1.Cl
InChIInChI=1S/C14H20N2O3S.ClH/c1-2-20(18,19)13-5-3-11(4-6-13)14(17)16-12-7-9-15-10-8-12;/h3-6,12,15H,2,7-10H2,1H3,(H,16,17);1H
InChIKeyZVXYFYBQUSQJEW-UHFFFAOYSA-N
XLogP1.38
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(diethylsulfamoyl)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119388262
4-(2-methoxyethylsulfamoyl)-N-piperidin-4-ylbenzamide
CID 119387792
4-(2-methoxyethylsulfonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451105
N-piperidin-4-yl-4-propanoylbenzamide
CID 119388743
4-(difluoromethylsulfonyl)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387742
N-(azepan-4-yl)-4-methylsulfonylbenzamide
CID 105059657
4-acetamido-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385704
4-[(4-fluorophenyl)sulfonylamino]-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387628
4-(difluoromethylsulfonylmethyl)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119390401
N-piperidin-4-yl-4-sulfanylbenzamide
CID 107023949
4-ethylsulfonyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120574136
4-(aminomethyl)-N-piperidin-4-ylbenzamide
CID 110463043

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-N-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of 4-ethylsulfonyl-N-piperidin-4-ylbenzamide;hydrochloride (CID 119389761) is 4-ethylsulfonyl-N-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-ethylsulfonyl-N-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for 4-ethylsulfonyl-N-piperidin-4-ylbenzamide;hydrochloride is CCS(=O)(=O)c1ccc(C(=O)NC2CCNCC2)cc1.Cl.
What is the InChIKey of 4-ethylsulfonyl-N-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is ZVXYFYBQUSQJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S.ClH/c1-2-20(18,19)13-5-3-11(4-6-13)14(17)16-12-7-9-15-10-8-12;/h3-6,12,15H,2,7-10H2,1H3,(H,16,17);1H.
What are the key properties of 4-ethylsulfonyl-N-piperidin-4-ylbenzamide;hydrochloride?
4-ethylsulfonyl-N-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 332.85 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-N-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 119389761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).