4-(difluoromethylsulfonyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride

C15H21ClF2N2O3S — CID 119556890

IUPAC4-(difluoromethylsulfonyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCC1CCCNC1)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C15H20F2N2O3S.ClH/c16-15(17)23(21,22)13-5-3-12(4-6-13)14(20)19-9-7-11-2-1-8-18-10-11;/h3-6,11,15,18H,1-2,7-10H2,(H,19,20);1H
InChIKeyNYOWIAHHNFOSFO-UHFFFAOYSA-N
MW382.86 g/mol
LogP2.22
Rot. Bonds6

About 4-(difluoromethylsulfonyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride

4-(difluoromethylsulfonyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride (PubChem CID 119556890) has the molecular formula C15H21ClF2N2O3S and a molecular weight of 382.86 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
PubChem CID119556890
Molecular FormulaC15H21ClF2N2O3S
Molecular Weight382.86 g/mol
Exact Mass382.09
IUPAC Name4-(difluoromethylsulfonyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCC1CCCNC1)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C15H20F2N2O3S.ClH/c16-15(17)23(21,22)13-5-3-12(4-6-13)14(20)19-9-7-11-2-1-8-18-10-11;/h3-6,11,15,18H,1-2,7-10H2,(H,19,20);1H
InChIKeyNYOWIAHHNFOSFO-UHFFFAOYSA-N
XLogP2.22
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.86
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethylsulfonyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119535414
4-(difluoromethylsulfonyl)-N-(piperidin-3-ylmethyl)benzamide
CID 119461851
4-(tert-butylsulfamoyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555746
4-(2-amino-2-oxoethyl)sulfonyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556684
4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554925
4-methoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556793
4-N-(2,2-dimethylpropyl)-1-N-(2-piperidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119558369
4-(2-piperidin-3-ylethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119979610
N-(2-piperidin-3-ylethyl)-4-(1H-pyrrole-3-carbonyl)benzamide;hydrochloride
CID 119559628
4-(tert-butylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534198
N-(2-piperidin-3-ylethyl)-4-(trifluoromethylsulfanyl)benzamide
CID 119557493
3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556963

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride (CID 119556890) is 4-(difluoromethylsulfonyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride is Cl.O=C(NCCC1CCCNC1)c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The InChIKey is NYOWIAHHNFOSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O3S.ClH/c16-15(17)23(21,22)13-5-3-12(4-6-13)14(20)19-9-7-11-2-1-8-18-10-11;/h3-6,11,15,18H,1-2,7-10H2,(H,19,20);1H.
What are the key properties of 4-(difluoromethylsulfonyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
4-(difluoromethylsulfonyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride has a molecular weight of 382.86 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119556890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).