1-(2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanesulfonamide

C17H21FN4O2S — CID 122299903

IUPAC1-(2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanesulfonamide
SMILESCC1CCN(c2ncc(NS(=O)(=O)Cc3ccccc3F)cn2)CC1
InChIInChI=1S/C17H21FN4O2S/c1-13-6-8-22(9-7-13)17-19-10-15(11-20-17)21-25(23,24)12-14-4-2-3-5-16(14)18/h2-5,10-11,13,21H,6-9,12H2,1H3
InChIKeyVHOANTLMTCZIIC-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.79
Rot. Bonds5

About 1-(2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanesulfonamide

1-(2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanesulfonamide (PubChem CID 122299903) has the molecular formula C17H21FN4O2S and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanesulfonamide
PubChem CID122299903
Molecular FormulaC17H21FN4O2S
Molecular Weight364.45 g/mol
Exact Mass364.14
IUPAC Name1-(2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanesulfonamide
SMILESCC1CCN(c2ncc(NS(=O)(=O)Cc3ccccc3F)cn2)CC1
InChIInChI=1S/C17H21FN4O2S/c1-13-6-8-22(9-7-13)17-19-10-15(11-20-17)21-25(23,24)12-14-4-2-3-5-16(14)18/h2-5,10-11,13,21H,6-9,12H2,1H3
InChIKeyVHOANTLMTCZIIC-UHFFFAOYSA-N
XLogP2.79
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanesulfonamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanesulfonamide (CID 122299903) is 1-(2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanesulfonamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanesulfonamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanesulfonamide is CC1CCN(c2ncc(NS(=O)(=O)Cc3ccccc3F)cn2)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanesulfonamide?
The InChIKey is VHOANTLMTCZIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2S/c1-13-6-8-22(9-7-13)17-19-10-15(11-20-17)21-25(23,24)12-14-4-2-3-5-16(14)18/h2-5,10-11,13,21H,6-9,12H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanesulfonamide?
1-(2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanesulfonamide has a molecular weight of 364.45 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanesulfonamide is sourced from PubChem (CID 122299903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).