2-(difluoromethylsulfonyl)-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide

C24H25F2N5O3S — CID 122295917

About 2-(difluoromethylsulfonyl)-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide

2-(difluoromethylsulfonyl)-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide (PubChem CID 122295917) has the molecular formula C24H25F2N5O3S and a molecular weight of 501.56 g/mol. Its IUPAC name is 2-(difluoromethylsulfonyl)-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide.

Molecular Properties

• Compound Name: 2-(difluoromethylsulfonyl)-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
• PubChem CID: 122295917
• Molecular Formula: C24H25F2N5O3S
• Molecular Weight: 501.56 g/mol
• Exact Mass: 501.16
• IUPAC Name: 2-(difluoromethylsulfonyl)-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
• SMILES: Cc1cc(Nc2ccc(NC(=O)c3ccccc3S(=O)(=O)C(F)F)cc2)nc(N2CCCCC2)n1
• InChI: InChI=1S/C24H25F2N5O3S/c1-16-15-21(30-24(27-16)31-13-5-2-6-14-31)28-17-9-11-18(12-10-17)29-22(32)19-7-3-4-8-20(19)35(33,34)23(25)26/h3-4,7-12,15,23H,2,5-6,13-14H2,1H3,(H,29,32)(H,27,28,30)
• InChIKey: HKIHOAHIMIQUQM-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 104.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.56
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonyl)-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide?

The IUPAC name of 2-(difluoromethylsulfonyl)-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide (CID 122295917) is 2-(difluoromethylsulfonyl)-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide.

What is the SMILES notation for 2-(difluoromethylsulfonyl)-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide?

The canonical SMILES for 2-(difluoromethylsulfonyl)-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide is Cc1cc(Nc2ccc(NC(=O)c3ccccc3S(=O)(=O)C(F)F)cc2)nc(N2CCCCC2)n1.

What is the InChIKey of 2-(difluoromethylsulfonyl)-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide?

The InChIKey is HKIHOAHIMIQUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N5O3S/c1-16-15-21(30-24(27-16)31-13-5-2-6-14-31)28-17-9-11-18(12-10-17)29-22(32)19-7-3-4-8-20(19)35(33,34)23(25)26/h3-4,7-12,15,23H,2,5-6,13-14H2,1H3,(H,29,32)(H,27,28,30).

What are the key properties of 2-(difluoromethylsulfonyl)-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide?

2-(difluoromethylsulfonyl)-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide has a molecular weight of 501.56 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(difluoromethylsulfonyl)-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide is sourced from PubChem (CID 122295917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).