4-fluoro-2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide

C17H21FN4O2S — CID 122299914

IUPAC4-fluoro-2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1cnc(N2CCC(C)CC2)nc1
InChIInChI=1S/C17H21FN4O2S/c1-12-5-7-22(8-6-12)17-19-10-15(11-20-17)21-25(23,24)16-4-3-14(18)9-13(16)2/h3-4,9-12,21H,5-8H2,1-2H3
InChIKeyWPOAKWDBFLTQOQ-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.96
Rot. Bonds4

About 4-fluoro-2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide

4-fluoro-2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide (PubChem CID 122299914) has the molecular formula C17H21FN4O2S and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide
PubChem CID122299914
Molecular FormulaC17H21FN4O2S
Molecular Weight364.45 g/mol
Exact Mass364.14
IUPAC Name4-fluoro-2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1cnc(N2CCC(C)CC2)nc1
InChIInChI=1S/C17H21FN4O2S/c1-12-5-7-22(8-6-12)17-19-10-15(11-20-17)21-25(23,24)16-4-3-14(18)9-13(16)2/h3-4,9-12,21H,5-8H2,1-2H3
InChIKeyWPOAKWDBFLTQOQ-UHFFFAOYSA-N
XLogP2.96
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide 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 4-fluoro-2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide (CID 122299914) is 4-fluoro-2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)Nc1cnc(N2CCC(C)CC2)nc1.
What is the InChIKey of 4-fluoro-2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide?
The InChIKey is WPOAKWDBFLTQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2S/c1-12-5-7-22(8-6-12)17-19-10-15(11-20-17)21-25(23,24)16-4-3-14(18)9-13(16)2/h3-4,9-12,21H,5-8H2,1-2H3.
What are the key properties of 4-fluoro-2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide?
4-fluoro-2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide has a molecular weight of 364.45 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide is sourced from PubChem (CID 122299914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).