N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(methanesulfonamido)-4-methylbenzamide

C16H23F2N3O3S — CID 49073210

IUPACN-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(methanesulfonamido)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCN(CC(F)F)CC2)cc1NS(C)(=O)=O
InChIInChI=1S/C16H23F2N3O3S/c1-11-3-4-12(9-14(11)20-25(2,23)24)16(22)19-13-5-7-21(8-6-13)10-15(17)18/h3-4,9,13,15,20H,5-8,10H2,1-2H3,(H,19,22)
InChIKeyXUXDYLSKEDLJJQ-UHFFFAOYSA-N
MW375.44 g/mol
LogP1.83
Rot. Bonds6

About N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(methanesulfonamido)-4-methylbenzamide

N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(methanesulfonamido)-4-methylbenzamide (PubChem CID 49073210) has the molecular formula C16H23F2N3O3S and a molecular weight of 375.44 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(methanesulfonamido)-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(methanesulfonamido)-4-methylbenzamide
PubChem CID49073210
Molecular FormulaC16H23F2N3O3S
Molecular Weight375.44 g/mol
Exact Mass375.14
IUPAC NameN-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(methanesulfonamido)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCN(CC(F)F)CC2)cc1NS(C)(=O)=O
InChIInChI=1S/C16H23F2N3O3S/c1-11-3-4-12(9-14(11)20-25(2,23)24)16(22)19-13-5-7-21(8-6-13)10-15(17)18/h3-4,9,13,15,20H,5-8,10H2,1-2H3,(H,19,22)
InChIKeyXUXDYLSKEDLJJQ-UHFFFAOYSA-N
XLogP1.83
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methanesulfonamido)-4-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 53281831
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(methanesulfonamido)-4-methylbenzamide
CID 55950566
N-cyclooctyl-3-(methanesulfonamido)-4-methylbenzamide
CID 41467295
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-(methylsulfamoyl)benzamide
CID 49074013
N-cyclopentyl-4-(methanesulfonamido)-3-methylbenzamide
CID 41466640
N-(4-aminocyclohexyl)-4-fluoro-3-(methanesulfonamido)benzamide
CID 119475981
3-(methanesulfonamido)-4-methyl-N-(5-oxopyrrolidin-3-yl)benzamide
CID 136521548
N-(1-ethylpiperidin-4-yl)-3,4-dimethylbenzamide
CID 17249701
N-[2-(aminomethyl)cyclohexyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 119610619
3-(methanesulfonamido)-4-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide
CID 51126883
N-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(methanesulfonamido)-4-methylbenzamide
CID 99845628
N-(2-tert-butylcyclohexyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 55582577

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(methanesulfonamido)-4-methylbenzamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(methanesulfonamido)-4-methylbenzamide (CID 49073210) is N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(methanesulfonamido)-4-methylbenzamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(methanesulfonamido)-4-methylbenzamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(methanesulfonamido)-4-methylbenzamide is Cc1ccc(C(=O)NC2CCN(CC(F)F)CC2)cc1NS(C)(=O)=O.
What is the InChIKey of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(methanesulfonamido)-4-methylbenzamide?
The InChIKey is XUXDYLSKEDLJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O3S/c1-11-3-4-12(9-14(11)20-25(2,23)24)16(22)19-13-5-7-21(8-6-13)10-15(17)18/h3-4,9,13,15,20H,5-8,10H2,1-2H3,(H,19,22).
What are the key properties of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(methanesulfonamido)-4-methylbenzamide?
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(methanesulfonamido)-4-methylbenzamide has a molecular weight of 375.44 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(methanesulfonamido)-4-methylbenzamide is sourced from PubChem (CID 49073210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).