4-(difluoromethylsulfonyl)-N-(piperidin-3-ylmethyl)benzamide

C14H18F2N2O3S — CID 119461851

IUPAC4-(difluoromethylsulfonyl)-N-(piperidin-3-ylmethyl)benzamide
SMILESO=C(NCC1CCCNC1)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C14H18F2N2O3S/c15-14(16)22(20,21)12-5-3-11(4-6-12)13(19)18-9-10-2-1-7-17-8-10/h3-6,10,14,17H,1-2,7-9H2,(H,18,19)
InChIKeyIBYBDCSWRCUALH-UHFFFAOYSA-N
MW332.37 g/mol
LogP1.41
Rot. Bonds5

About 4-(difluoromethylsulfonyl)-N-(piperidin-3-ylmethyl)benzamide

4-(difluoromethylsulfonyl)-N-(piperidin-3-ylmethyl)benzamide (PubChem CID 119461851) has the molecular formula C14H18F2N2O3S and a molecular weight of 332.37 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-(piperidin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-(piperidin-3-ylmethyl)benzamide
PubChem CID119461851
Molecular FormulaC14H18F2N2O3S
Molecular Weight332.37 g/mol
Exact Mass332.10
IUPAC Name4-(difluoromethylsulfonyl)-N-(piperidin-3-ylmethyl)benzamide
SMILESO=C(NCC1CCCNC1)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C14H18F2N2O3S/c15-14(16)22(20,21)12-5-3-11(4-6-12)13(19)18-9-10-2-1-7-17-8-10/h3-6,10,14,17H,1-2,7-9H2,(H,18,19)
InChIKeyIBYBDCSWRCUALH-UHFFFAOYSA-N
XLogP1.41
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethylsulfonyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556890
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
4-(difluoromethylsulfonyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119535414
4-(phenylsulfamoyl)-N-(piperidin-3-ylmethyl)benzamide
CID 119461716
N-(piperidin-3-ylmethyl)-4-(trifluoromethyl)benzamide
CID 24701631
4-benzylsulfonyl-N-(piperidin-3-ylmethyl)benzamide
CID 119462777
4-[(4-methylphenyl)sulfamoyl]-N-(piperidin-3-ylmethyl)benzamide
CID 119462922
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119463409
4-methylsulfonyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564844
4-(dimethylamino)-N-(piperidin-3-ylmethyl)benzamide
CID 43329219
N-(piperidin-3-ylmethyl)-1H-indole-5-carboxamide
CID 55230606

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-(piperidin-3-ylmethyl)benzamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-(piperidin-3-ylmethyl)benzamide (CID 119461851) is 4-(difluoromethylsulfonyl)-N-(piperidin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-(piperidin-3-ylmethyl)benzamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-(piperidin-3-ylmethyl)benzamide is O=C(NCC1CCCNC1)c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-(piperidin-3-ylmethyl)benzamide?
The InChIKey is IBYBDCSWRCUALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O3S/c15-14(16)22(20,21)12-5-3-11(4-6-12)13(19)18-9-10-2-1-7-17-8-10/h3-6,10,14,17H,1-2,7-9H2,(H,18,19).
What are the key properties of 4-(difluoromethylsulfonyl)-N-(piperidin-3-ylmethyl)benzamide?
4-(difluoromethylsulfonyl)-N-(piperidin-3-ylmethyl)benzamide has a molecular weight of 332.37 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-(piperidin-3-ylmethyl)benzamide is sourced from PubChem (CID 119461851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).