N-[4-[2-(2,6-difluorophenyl)propyl]-6-[[(2R)-1-hydroxy-4-methylpentan-2-yl]amino]-1,3,5-triazin-2-yl]methanesulfonamide

C19H27F2N5O3S — CID 171522404

About N-[4-[2-(2,6-difluorophenyl)propyl]-6-[[(2R)-1-hydroxy-4-methylpentan-2-yl]amino]-1,3,5-triazin-2-yl]methanesulfonamide

N-[4-[2-(2,6-difluorophenyl)propyl]-6-[[(2R)-1-hydroxy-4-methylpentan-2-yl]amino]-1,3,5-triazin-2-yl]methanesulfonamide (PubChem CID 171522404) has the molecular formula C19H27F2N5O3S and a molecular weight of 443.52 g/mol. Its IUPAC name is N-[4-[2-(2,6-difluorophenyl)propyl]-6-[[(2R)-1-hydroxy-4-methylpentan-2-yl]amino]-1,3,5-triazin-2-yl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[4-[2-(2,6-difluorophenyl)propyl]-6-[[(2R)-1-hydroxy-4-methylpentan-2-yl]amino]-1,3,5-triazin-2-yl]methanesulfonamide
• PubChem CID: 171522404
• Molecular Formula: C19H27F2N5O3S
• Molecular Weight: 443.52 g/mol
• Exact Mass: 443.18
• IUPAC Name: N-[4-[2-(2,6-difluorophenyl)propyl]-6-[[(2R)-1-hydroxy-4-methylpentan-2-yl]amino]-1,3,5-triazin-2-yl]methanesulfonamide
• SMILES: CC(C)C[C@H](CO)Nc1nc(CC(C)c2c(F)cccc2F)nc(NS(C)(=O)=O)n1
• InChI: InChI=1S/C19H27F2N5O3S/c1-11(2)8-13(10-27)22-18-23-16(24-19(25-18)26-30(4,28)29)9-12(3)17-14(20)6-5-7-15(17)21/h5-7,11-13,27H,8-10H2,1-4H3,(H2,22,23,24,25,26)/t12?,13-/m1/s1
• InChIKey: YCCMQKXGRNNWBR-ZGTCLIOFSA-N
• XLogP: 2.69
• TPSA: 117.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.52
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2,6-difluorophenyl)propyl]-6-[[(2R)-1-hydroxy-4-methylpentan-2-yl]amino]-1,3,5-triazin-2-yl]methanesulfonamide?

The IUPAC name of N-[4-[2-(2,6-difluorophenyl)propyl]-6-[[(2R)-1-hydroxy-4-methylpentan-2-yl]amino]-1,3,5-triazin-2-yl]methanesulfonamide (CID 171522404) is N-[4-[2-(2,6-difluorophenyl)propyl]-6-[[(2R)-1-hydroxy-4-methylpentan-2-yl]amino]-1,3,5-triazin-2-yl]methanesulfonamide.

What is the SMILES notation for N-[4-[2-(2,6-difluorophenyl)propyl]-6-[[(2R)-1-hydroxy-4-methylpentan-2-yl]amino]-1,3,5-triazin-2-yl]methanesulfonamide?

The canonical SMILES for N-[4-[2-(2,6-difluorophenyl)propyl]-6-[[(2R)-1-hydroxy-4-methylpentan-2-yl]amino]-1,3,5-triazin-2-yl]methanesulfonamide is CC(C)C[C@H](CO)Nc1nc(CC(C)c2c(F)cccc2F)nc(NS(C)(=O)=O)n1.

What is the InChIKey of N-[4-[2-(2,6-difluorophenyl)propyl]-6-[[(2R)-1-hydroxy-4-methylpentan-2-yl]amino]-1,3,5-triazin-2-yl]methanesulfonamide?

The InChIKey is YCCMQKXGRNNWBR-ZGTCLIOFSA-N. The full InChI is InChI=1S/C19H27F2N5O3S/c1-11(2)8-13(10-27)22-18-23-16(24-19(25-18)26-30(4,28)29)9-12(3)17-14(20)6-5-7-15(17)21/h5-7,11-13,27H,8-10H2,1-4H3,(H2,22,23,24,25,26)/t12?,13-/m1/s1.

What are the key properties of N-[4-[2-(2,6-difluorophenyl)propyl]-6-[[(2R)-1-hydroxy-4-methylpentan-2-yl]amino]-1,3,5-triazin-2-yl]methanesulfonamide?

N-[4-[2-(2,6-difluorophenyl)propyl]-6-[[(2R)-1-hydroxy-4-methylpentan-2-yl]amino]-1,3,5-triazin-2-yl]methanesulfonamide has a molecular weight of 443.52 g/mol, XLogP of 2.69, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-(2,6-difluorophenyl)propyl]-6-[[(2R)-1-hydroxy-4-methylpentan-2-yl]amino]-1,3,5-triazin-2-yl]methanesulfonamide is sourced from PubChem (CID 171522404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).