4-(difluoromethylsulfonyl)-N-(2-methylpiperidin-3-yl)benzamide

C14H18F2N2O3S — CID 120574947

IUPAC4-(difluoromethylsulfonyl)-N-(2-methylpiperidin-3-yl)benzamide
SMILESCC1NCCCC1NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C14H18F2N2O3S/c1-9-12(3-2-8-17-9)18-13(19)10-4-6-11(7-5-10)22(20,21)14(15)16/h4-7,9,12,14,17H,2-3,8H2,1H3,(H,18,19)
InChIKeyIFZKMMMEPOLAEB-UHFFFAOYSA-N
MW332.37 g/mol
LogP1.55
Rot. Bonds4

About 4-(difluoromethylsulfonyl)-N-(2-methylpiperidin-3-yl)benzamide

4-(difluoromethylsulfonyl)-N-(2-methylpiperidin-3-yl)benzamide (PubChem CID 120574947) has the molecular formula C14H18F2N2O3S and a molecular weight of 332.37 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-(2-methylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-(2-methylpiperidin-3-yl)benzamide
PubChem CID120574947
Molecular FormulaC14H18F2N2O3S
Molecular Weight332.37 g/mol
Exact Mass332.10
IUPAC Name4-(difluoromethylsulfonyl)-N-(2-methylpiperidin-3-yl)benzamide
SMILESCC1NCCCC1NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C14H18F2N2O3S/c1-9-12(3-2-8-17-9)18-13(19)10-4-6-11(7-5-10)22(20,21)14(15)16/h4-7,9,12,14,17H,2-3,8H2,1H3,(H,18,19)
InChIKeyIFZKMMMEPOLAEB-UHFFFAOYSA-N
XLogP1.55
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethylsulfonyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120574136
4-(cyclopropylsulfamoyl)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120576685
N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
4-[cyclohexyl(methyl)sulfamoyl]-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120574887
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120577350
4-(2-methoxyethylsulfamoyl)-N-(2-methylpiperidin-3-yl)benzamide
CID 120574271
4-(difluoromethylsulfonyl)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387742
N-(2-methylpiperidin-3-yl)-4-(propylsulfonylamino)benzamide;hydrochloride
CID 120577071
4-bromo-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 114695015
3-chloro-4-iodo-N-(2-methylpiperidin-3-yl)benzamide
CID 103209748
1-N-(2,2-dimethylpropyl)-4-N-(2-methylpiperidin-3-yl)benzene-1,4-dicarboxamide;hydrochloride
CID 120575205
4-[[ethyl(propan-2-yl)amino]methyl]-N-(2-methylpiperidin-3-yl)benzamide;dihydrochloride
CID 120576871

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-(2-methylpiperidin-3-yl)benzamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-(2-methylpiperidin-3-yl)benzamide (CID 120574947) is 4-(difluoromethylsulfonyl)-N-(2-methylpiperidin-3-yl)benzamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-(2-methylpiperidin-3-yl)benzamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-(2-methylpiperidin-3-yl)benzamide is CC1NCCCC1NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-(2-methylpiperidin-3-yl)benzamide?
The InChIKey is IFZKMMMEPOLAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O3S/c1-9-12(3-2-8-17-9)18-13(19)10-4-6-11(7-5-10)22(20,21)14(15)16/h4-7,9,12,14,17H,2-3,8H2,1H3,(H,18,19).
What are the key properties of 4-(difluoromethylsulfonyl)-N-(2-methylpiperidin-3-yl)benzamide?
4-(difluoromethylsulfonyl)-N-(2-methylpiperidin-3-yl)benzamide has a molecular weight of 332.37 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-(2-methylpiperidin-3-yl)benzamide is sourced from PubChem (CID 120574947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).