1-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]-N-[[5-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-yl]methyl]cyclopropane-1-carboxamide

C23H17F4N5O4S — CID 134561906

About 1-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]-N-[[5-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-yl]methyl]cyclopropane-1-carboxamide

1-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]-N-[[5-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-yl]methyl]cyclopropane-1-carboxamide (PubChem CID 134561906) has the molecular formula C23H17F4N5O4S and a molecular weight of 535.48 g/mol. Its IUPAC name is 1-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]-N-[[5-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-yl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]-N-[[5-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-yl]methyl]cyclopropane-1-carboxamide
• PubChem CID: 134561906
• Molecular Formula: C23H17F4N5O4S
• Molecular Weight: 535.48 g/mol
• Exact Mass: 535.09
• IUPAC Name: 1-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]-N-[[5-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-yl]methyl]cyclopropane-1-carboxamide
• SMILES: O=C(NCc1cc(-c2ccc(C(F)(F)F)cn2)cnn1)C1(NS(=O)(=O)c2cc3cc(F)ccc3o2)CC1
• InChI: InChI=1S/C23H17F4N5O4S/c24-16-2-4-19-13(7-16)9-20(36-19)37(34,35)32-22(5-6-22)21(33)29-12-17-8-14(10-30-31-17)18-3-1-15(11-28-18)23(25,26)27/h1-4,7-11,32H,5-6,12H2,(H,29,33)
• InChIKey: XJOLDMAZEVYCSW-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 127.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.48
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]-N-[[5-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-yl]methyl]cyclopropane-1-carboxamide?

The IUPAC name of 1-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]-N-[[5-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-yl]methyl]cyclopropane-1-carboxamide (CID 134561906) is 1-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]-N-[[5-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-yl]methyl]cyclopropane-1-carboxamide.

What is the SMILES notation for 1-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]-N-[[5-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-yl]methyl]cyclopropane-1-carboxamide?

The canonical SMILES for 1-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]-N-[[5-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-yl]methyl]cyclopropane-1-carboxamide is O=C(NCc1cc(-c2ccc(C(F)(F)F)cn2)cnn1)C1(NS(=O)(=O)c2cc3cc(F)ccc3o2)CC1.

What is the InChIKey of 1-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]-N-[[5-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-yl]methyl]cyclopropane-1-carboxamide?

The InChIKey is XJOLDMAZEVYCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F4N5O4S/c24-16-2-4-19-13(7-16)9-20(36-19)37(34,35)32-22(5-6-22)21(33)29-12-17-8-14(10-30-31-17)18-3-1-15(11-28-18)23(25,26)27/h1-4,7-11,32H,5-6,12H2,(H,29,33).

What are the key properties of 1-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]-N-[[5-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-yl]methyl]cyclopropane-1-carboxamide?

1-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]-N-[[5-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-yl]methyl]cyclopropane-1-carboxamide has a molecular weight of 535.48 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]-N-[[5-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-yl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 134561906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).