N-[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methanesulfonamide

C12H16FN3O3S — CID 91829899

IUPACN-[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(C(=O)c2cncc(F)c2)CC1
InChIInChI=1S/C12H16FN3O3S/c1-20(18,19)15-11-2-4-16(5-3-11)12(17)9-6-10(13)8-14-7-9/h6-8,11,15H,2-5H2,1H3
InChIKeyVZRJCHCFECBGLZ-UHFFFAOYSA-N
MW301.34 g/mol
LogP0.37
Rot. Bonds3

About N-[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methanesulfonamide

N-[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methanesulfonamide (PubChem CID 91829899) has the molecular formula C12H16FN3O3S and a molecular weight of 301.34 g/mol. Its IUPAC name is N-[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methanesulfonamide
PubChem CID91829899
Molecular FormulaC12H16FN3O3S
Molecular Weight301.34 g/mol
Exact Mass301.09
IUPAC NameN-[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(C(=O)c2cncc(F)c2)CC1
InChIInChI=1S/C12H16FN3O3S/c1-20(18,19)15-11-2-4-16(5-3-11)12(17)9-6-10(13)8-14-7-9/h6-8,11,15H,2-5H2,1H3
InChIKeyVZRJCHCFECBGLZ-UHFFFAOYSA-N
XLogP0.37
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methanesulfonamide
CID 108567177
N-[1-(4-fluoro-3-methylbenzoyl)piperidin-4-yl]methanesulfonamide
CID 63212360
N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]methanesulfonamide
CID 108564444
N-[1-(6-chloropyrazine-2-carbonyl)piperidin-4-yl]methanesulfonamide
CID 106550944
(5-fluoro-3-pyridinyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 113265528
[4-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 115736655
N-[1-(2-bromo-5-fluorobenzoyl)piperidin-4-yl]methanesulfonamide
CID 60706031
(4-cyclopentylpiperazin-1-yl)-(5-fluoro-3-pyridinyl)methanone
CID 121184691
(5-fluoro-3-pyridinyl)-[4-(propan-2-yloxymethyl)piperidin-1-yl]methanone
CID 118790419
N-[1-(2-pyridin-3-ylpyrimidine-5-carbonyl)piperidin-4-yl]methanesulfonamide
CID 72890935
(4-benzylsulfonylpiperidin-1-yl)-(5-fluoro-3-pyridinyl)methanone
CID 119105563
N-[7-(5-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155866198

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methanesulfonamide (CID 91829899) is N-[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(C(=O)c2cncc(F)c2)CC1.
What is the InChIKey of N-[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methanesulfonamide?
The InChIKey is VZRJCHCFECBGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O3S/c1-20(18,19)15-11-2-4-16(5-3-11)12(17)9-6-10(13)8-14-7-9/h6-8,11,15H,2-5H2,1H3.
What are the key properties of N-[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methanesulfonamide?
N-[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methanesulfonamide has a molecular weight of 301.34 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 91829899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).