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

C13H17ClF2N2O3S — CID 119387742

IUPAC4-(difluoromethylsulfonyl)-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CCNCC1)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C13H16F2N2O3S.ClH/c14-13(15)21(19,20)11-3-1-9(2-4-11)12(18)17-10-5-7-16-8-6-10;/h1-4,10,13,16H,5-8H2,(H,17,18);1H
InChIKeyLMXVKANOHPNCSS-UHFFFAOYSA-N
MW354.81 g/mol
LogP1.59
Rot. Bonds4

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

4-(difluoromethylsulfonyl)-N-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 119387742) has the molecular formula C13H17ClF2N2O3S and a molecular weight of 354.81 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-piperidin-4-ylbenzamide;hydrochloride
PubChem CID119387742
Molecular FormulaC13H17ClF2N2O3S
Molecular Weight354.81 g/mol
Exact Mass354.06
IUPAC Name4-(difluoromethylsulfonyl)-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CCNCC1)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C13H16F2N2O3S.ClH/c14-13(15)21(19,20)11-3-1-9(2-4-11)12(18)17-10-5-7-16-8-6-10;/h1-4,10,13,16H,5-8H2,(H,17,18);1H
InChIKeyLMXVKANOHPNCSS-UHFFFAOYSA-N
XLogP1.59
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.81
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethylsulfonylmethyl)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119390401
4-ethylsulfonyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389761
N-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-4-fluorobenzamide
CID 47053580
4-[(4-fluorophenyl)sulfonylamino]-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387628
4-(difluoromethylsulfonyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119535414
N-(azepan-4-yl)-4-methylsulfonylbenzamide
CID 105059657
4-(diethylsulfamoyl)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119388262
4-(difluoromethylsulfonyl)-N-(2-methylpiperidin-3-yl)benzamide
CID 120574947
N-piperidin-4-yl-4-sulfanylbenzamide
CID 107023949
4-(difluoromethylsulfonyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556890
4-(2-methoxyethylsulfamoyl)-N-piperidin-4-ylbenzamide
CID 119387792
4-acetamido-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385704

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-piperidin-4-ylbenzamide;hydrochloride (CID 119387742) is 4-(difluoromethylsulfonyl)-N-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-piperidin-4-ylbenzamide;hydrochloride is Cl.O=C(NC1CCNCC1)c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is LMXVKANOHPNCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O3S.ClH/c14-13(15)21(19,20)11-3-1-9(2-4-11)12(18)17-10-5-7-16-8-6-10;/h1-4,10,13,16H,5-8H2,(H,17,18);1H.
What are the key properties of 4-(difluoromethylsulfonyl)-N-piperidin-4-ylbenzamide;hydrochloride?
4-(difluoromethylsulfonyl)-N-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 354.81 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 119387742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).