N-[2-(3-fluoro-4-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide

C15H19FN2O3S — CID 156601679

IUPACN-[2-(3-fluoro-4-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide
SMILESCc1ccc(C(=O)N2CC3CC2CC3NS(C)(=O)=O)cc1F
InChIInChI=1S/C15H19FN2O3S/c1-9-3-4-10(6-13(9)16)15(19)18-8-11-5-12(18)7-14(11)17-22(2,20)21/h3-4,6,11-12,14,17H,5,7-8H2,1-2H3
InChIKeyKMKBDXDOGIHYNL-UHFFFAOYSA-N
MW326.39 g/mol
LogP1.29
Rot. Bonds3

About N-[2-(3-fluoro-4-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide

N-[2-(3-fluoro-4-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide (PubChem CID 156601679) has the molecular formula C15H19FN2O3S and a molecular weight of 326.39 g/mol. Its IUPAC name is N-[2-(3-fluoro-4-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(3-fluoro-4-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide
PubChem CID156601679
Molecular FormulaC15H19FN2O3S
Molecular Weight326.39 g/mol
Exact Mass326.11
IUPAC NameN-[2-(3-fluoro-4-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide
SMILESCc1ccc(C(=O)N2CC3CC2CC3NS(C)(=O)=O)cc1F
InChIInChI=1S/C15H19FN2O3S/c1-9-3-4-10(6-13(9)16)15(19)18-8-11-5-12(18)7-14(11)17-22(2,20)21/h3-4,6,11-12,14,17H,5,7-8H2,1-2H3
InChIKeyKMKBDXDOGIHYNL-UHFFFAOYSA-N
XLogP1.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cyclopentylsulfamoyl)ethyl]-4-fluorobenzamide
CID 7423345
4-fluoro-N-[2-(4-methylpiperidin-1-yl)sulfonylethyl]benzamide
CID 7423331
[4-(1,1-Dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 128716006
N-cyclohexyl-4-(methanesulfonamidomethyl)benzamide
CID 715136
4-(4-Fluorobenzoylamino)-1-methylsulfonylpiperidine
CID 5009999
N-[2-[4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]phenyl]ethyl]methanesulfonamide
CID 30767826
N-[1-(4-fluorobenzoyl)piperidin-4-yl]methanesulfonamide
CID 45802162
N-[[1-(3,4-difluorobenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 45817005
N-[[1-(3-fluorobenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 45817006
N-(1-ethylsulfonylpiperidin-4-yl)benzamide
CID 45837508
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]ethanesulfonamide
CID 47070148
N-[[1-(4-methylbenzoyl)piperidin-3-yl]methyl]propane-2-sulfonamide
CID 49506195

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoro-4-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide?
The IUPAC name of N-[2-(3-fluoro-4-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide (CID 156601679) is N-[2-(3-fluoro-4-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide.
What is the SMILES notation for N-[2-(3-fluoro-4-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide?
The canonical SMILES for N-[2-(3-fluoro-4-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide is Cc1ccc(C(=O)N2CC3CC2CC3NS(C)(=O)=O)cc1F.
What is the InChIKey of N-[2-(3-fluoro-4-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide?
The InChIKey is KMKBDXDOGIHYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3S/c1-9-3-4-10(6-13(9)16)15(19)18-8-11-5-12(18)7-14(11)17-22(2,20)21/h3-4,6,11-12,14,17H,5,7-8H2,1-2H3.
What are the key properties of N-[2-(3-fluoro-4-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide?
N-[2-(3-fluoro-4-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide has a molecular weight of 326.39 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoro-4-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide is sourced from PubChem (CID 156601679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).