N-[3-fluoro-4-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenyl]cyclopropanesulfonamide

C27H27FN4O2S — CID 69351235

About N-[3-fluoro-4-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenyl]cyclopropanesulfonamide

N-[3-fluoro-4-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenyl]cyclopropanesulfonamide (PubChem CID 69351235) has the molecular formula C27H27FN4O2S and a molecular weight of 490.60 g/mol. Its IUPAC name is N-[3-fluoro-4-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenyl]cyclopropanesulfonamide.

Molecular Properties

• Compound Name: N-[3-fluoro-4-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenyl]cyclopropanesulfonamide
• PubChem CID: 69351235
• Molecular Formula: C27H27FN4O2S
• Molecular Weight: 490.60 g/mol
• Exact Mass: 490.18
• IUPAC Name: N-[3-fluoro-4-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenyl]cyclopropanesulfonamide
• SMILES: Cc1cccc(-c2[nH]c(C(C)C)nc2-c2cccc(-c3ccc(NS(=O)(=O)C4CC4)cc3F)c2)n1
• InChI: InChI=1S/C27H27FN4O2S/c1-16(2)27-30-25(26(31-27)24-9-4-6-17(3)29-24)19-8-5-7-18(14-19)22-13-10-20(15-23(22)28)32-35(33,34)21-11-12-21/h4-10,13-16,21,32H,11-12H2,1-3H3,(H,30,31)
• InChIKey: IHZOKZKGAPCGML-UHFFFAOYSA-N
• XLogP: 6.28
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.60
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenyl]cyclopropanesulfonamide?

The IUPAC name of N-[3-fluoro-4-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenyl]cyclopropanesulfonamide (CID 69351235) is N-[3-fluoro-4-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenyl]cyclopropanesulfonamide.

What is the SMILES notation for N-[3-fluoro-4-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenyl]cyclopropanesulfonamide?

The canonical SMILES for N-[3-fluoro-4-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenyl]cyclopropanesulfonamide is Cc1cccc(-c2[nH]c(C(C)C)nc2-c2cccc(-c3ccc(NS(=O)(=O)C4CC4)cc3F)c2)n1.

What is the InChIKey of N-[3-fluoro-4-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenyl]cyclopropanesulfonamide?

The InChIKey is IHZOKZKGAPCGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O2S/c1-16(2)27-30-25(26(31-27)24-9-4-6-17(3)29-24)19-8-5-7-18(14-19)22-13-10-20(15-23(22)28)32-35(33,34)21-11-12-21/h4-10,13-16,21,32H,11-12H2,1-3H3,(H,30,31).

What are the key properties of N-[3-fluoro-4-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenyl]cyclopropanesulfonamide?

N-[3-fluoro-4-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenyl]cyclopropanesulfonamide has a molecular weight of 490.60 g/mol, XLogP of 6.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-fluoro-4-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenyl]cyclopropanesulfonamide is sourced from PubChem (CID 69351235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).