1-(4-fluorophenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide

C18H23FN4O2S — CID 122352951

IUPAC1-(4-fluorophenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide
SMILESCc1cc(CNS(=O)(=O)Cc2ccc(F)cc2)nc(N2CCCCC2)n1
InChIInChI=1S/C18H23FN4O2S/c1-14-11-17(22-18(21-14)23-9-3-2-4-10-23)12-20-26(24,25)13-15-5-7-16(19)8-6-15/h5-8,11,20H,2-4,9-10,12-13H2,1H3
InChIKeyCXKHNGHRYWXWBD-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.53
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide

1-(4-fluorophenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide (PubChem CID 122352951) has the molecular formula C18H23FN4O2S and a molecular weight of 378.47 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide
PubChem CID122352951
Molecular FormulaC18H23FN4O2S
Molecular Weight378.47 g/mol
Exact Mass378.15
IUPAC Name1-(4-fluorophenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide
SMILESCc1cc(CNS(=O)(=O)Cc2ccc(F)cc2)nc(N2CCCCC2)n1
InChIInChI=1S/C18H23FN4O2S/c1-14-11-17(22-18(21-14)23-9-3-2-4-10-23)12-20-26(24,25)13-15-5-7-16(19)8-6-15/h5-8,11,20H,2-4,9-10,12-13H2,1H3
InChIKeyCXKHNGHRYWXWBD-UHFFFAOYSA-N
XLogP2.53
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide (CID 122352951) is 1-(4-fluorophenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide is Cc1cc(CNS(=O)(=O)Cc2ccc(F)cc2)nc(N2CCCCC2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide?
The InChIKey is CXKHNGHRYWXWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2S/c1-14-11-17(22-18(21-14)23-9-3-2-4-10-23)12-20-26(24,25)13-15-5-7-16(19)8-6-15/h5-8,11,20H,2-4,9-10,12-13H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide has a molecular weight of 378.47 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide is sourced from PubChem (CID 122352951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).