1-(4-fluorophenyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]methanesulfonamide

C18H22FN3O2S — CID 55913883

IUPAC1-(4-fluorophenyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCc1ccc(N2CCCCC2)nc1
InChIInChI=1S/C18H22FN3O2S/c19-17-7-4-15(5-8-17)14-25(23,24)21-13-16-6-9-18(20-12-16)22-10-2-1-3-11-22/h4-9,12,21H,1-3,10-11,13-14H2
InChIKeySSNUDBQDUFWILO-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.83
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]methanesulfonamide

1-(4-fluorophenyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]methanesulfonamide (PubChem CID 55913883) has the molecular formula C18H22FN3O2S and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]methanesulfonamide
PubChem CID55913883
Molecular FormulaC18H22FN3O2S
Molecular Weight363.46 g/mol
Exact Mass363.14
IUPAC Name1-(4-fluorophenyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCc1ccc(N2CCCCC2)nc1
InChIInChI=1S/C18H22FN3O2S/c19-17-7-4-15(5-8-17)14-25(23,24)21-13-16-6-9-18(20-12-16)22-10-2-1-3-11-22/h4-9,12,21H,1-3,10-11,13-14H2
InChIKeySSNUDBQDUFWILO-UHFFFAOYSA-N
XLogP2.83
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-sulfonamide
CID 35388805
3,4-difluoro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 35388850
1-(4-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]methanesulfonamide
CID 55530270
2,3-dichloro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 35389010
3-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzene-1,3-disulfonamide
CID 55913757
1-(4-fluorophenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide
CID 122352951
4-(4-fluorophenyl)-4-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 37483127
1-(6-piperidin-1-yl-3-pyridinyl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine
CID 56824519
1-[6-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]pyridazin-3-yl]azepane
CID 122335071
3-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-6-piperidin-1-ylpyridazine
CID 122334779
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 38529319
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,2-dimethylpropanamide
CID 71842545

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]methanesulfonamide (CID 55913883) is 1-(4-fluorophenyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]methanesulfonamide is O=S(=O)(Cc1ccc(F)cc1)NCc1ccc(N2CCCCC2)nc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]methanesulfonamide?
The InChIKey is SSNUDBQDUFWILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2S/c19-17-7-4-15(5-8-17)14-25(23,24)21-13-16-6-9-18(20-12-16)22-10-2-1-3-11-22/h4-9,12,21H,1-3,10-11,13-14H2.
What are the key properties of 1-(4-fluorophenyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]methanesulfonamide has a molecular weight of 363.46 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]methanesulfonamide is sourced from PubChem (CID 55913883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).