4-(difluoromethylsulfonylmethyl)-N-piperidin-4-ylbenzamide;hydrochloride

C14H19ClF2N2O3S — CID 119390401

IUPAC4-(difluoromethylsulfonylmethyl)-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CCNCC1)c1ccc(CS(=O)(=O)C(F)F)cc1
InChIInChI=1S/C14H18F2N2O3S.ClH/c15-14(16)22(20,21)9-10-1-3-11(4-2-10)13(19)18-12-5-7-17-8-6-12;/h1-4,12,14,17H,5-9H2,(H,18,19);1H
InChIKeyJVZQFVBFLJELCZ-UHFFFAOYSA-N
MW368.83 g/mol
LogP1.73
Rot. Bonds5

About 4-(difluoromethylsulfonylmethyl)-N-piperidin-4-ylbenzamide;hydrochloride

4-(difluoromethylsulfonylmethyl)-N-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 119390401) has the molecular formula C14H19ClF2N2O3S and a molecular weight of 368.83 g/mol. Its IUPAC name is 4-(difluoromethylsulfonylmethyl)-N-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-(difluoromethylsulfonylmethyl)-N-piperidin-4-ylbenzamide;hydrochloride
PubChem CID119390401
Molecular FormulaC14H19ClF2N2O3S
Molecular Weight368.83 g/mol
Exact Mass368.08
IUPAC Name4-(difluoromethylsulfonylmethyl)-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CCNCC1)c1ccc(CS(=O)(=O)C(F)F)cc1
InChIInChI=1S/C14H18F2N2O3S.ClH/c15-14(16)22(20,21)9-10-1-3-11(4-2-10)13(19)18-12-5-7-17-8-6-12;/h1-4,12,14,17H,5-9H2,(H,18,19);1H
InChIKeyJVZQFVBFLJELCZ-UHFFFAOYSA-N
XLogP1.73
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.83
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethylsulfonyl)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387742
4-(aminomethyl)-N-piperidin-4-ylbenzamide
CID 110463043
4-ethylsulfonyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389761
N-piperidin-4-yl-4-sulfanylbenzamide
CID 107023949
N-piperidin-4-yl-4-(1,1,1-trifluoropropan-2-yl)benzamide
CID 162554246
4-(diethylsulfamoyl)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119388262
N-piperidin-4-yl-4-propanoylbenzamide
CID 119388743
4-[(4-fluorophenyl)sulfonylamino]-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387628
4-acetamido-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385704
4-ethyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689710
N-(azepan-4-yl)-4-methylsulfonylbenzamide
CID 105059657
4-(2-methoxyethylsulfamoyl)-N-piperidin-4-ylbenzamide
CID 119387792

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonylmethyl)-N-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of 4-(difluoromethylsulfonylmethyl)-N-piperidin-4-ylbenzamide;hydrochloride (CID 119390401) is 4-(difluoromethylsulfonylmethyl)-N-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-(difluoromethylsulfonylmethyl)-N-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for 4-(difluoromethylsulfonylmethyl)-N-piperidin-4-ylbenzamide;hydrochloride is Cl.O=C(NC1CCNCC1)c1ccc(CS(=O)(=O)C(F)F)cc1.
What is the InChIKey of 4-(difluoromethylsulfonylmethyl)-N-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is JVZQFVBFLJELCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O3S.ClH/c15-14(16)22(20,21)9-10-1-3-11(4-2-10)13(19)18-12-5-7-17-8-6-12;/h1-4,12,14,17H,5-9H2,(H,18,19);1H.
What are the key properties of 4-(difluoromethylsulfonylmethyl)-N-piperidin-4-ylbenzamide;hydrochloride?
4-(difluoromethylsulfonylmethyl)-N-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 368.83 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonylmethyl)-N-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 119390401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).