N-butan-2-yl-1-[4-[(2-fluorophenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid

C22H24F4N2O5S — CID 146061919

About N-butan-2-yl-1-[4-[(2-fluorophenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid

N-butan-2-yl-1-[4-[(2-fluorophenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 146061919) has the molecular formula C22H24F4N2O5S and a molecular weight of 504.50 g/mol. Its IUPAC name is N-butan-2-yl-1-[4-[(2-fluorophenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-butan-2-yl-1-[4-[(2-fluorophenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 146061919
• Molecular Formula: C22H24F4N2O5S
• Molecular Weight: 504.50 g/mol
• Exact Mass: 504.13
• IUPAC Name: N-butan-2-yl-1-[4-[(2-fluorophenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: CCC(C)NC(=O)C1(c2ccc(NS(=O)(=O)c3ccccc3F)cc2)CC1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C20H23FN2O3S.C2HF3O2/c1-3-14(2)22-19(24)20(12-13-20)15-8-10-16(11-9-15)23-27(25,26)18-7-5-4-6-17(18)21;3-2(4,5)1(6)7/h4-11,14,23H,3,12-13H2,1-2H3,(H,22,24);(H,6,7)
• InChIKey: VYSXOZUHQPDODF-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 112.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.50
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-[4-[(2-fluorophenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N-butan-2-yl-1-[4-[(2-fluorophenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid (CID 146061919) is N-butan-2-yl-1-[4-[(2-fluorophenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N-butan-2-yl-1-[4-[(2-fluorophenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-butan-2-yl-1-[4-[(2-fluorophenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid is CCC(C)NC(=O)C1(c2ccc(NS(=O)(=O)c3ccccc3F)cc2)CC1.O=C(O)C(F)(F)F.

What is the InChIKey of N-butan-2-yl-1-[4-[(2-fluorophenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is VYSXOZUHQPDODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S.C2HF3O2/c1-3-14(2)22-19(24)20(12-13-20)15-8-10-16(11-9-15)23-27(25,26)18-7-5-4-6-17(18)21;3-2(4,5)1(6)7/h4-11,14,23H,3,12-13H2,1-2H3,(H,22,24);(H,6,7).

What are the key properties of N-butan-2-yl-1-[4-[(2-fluorophenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?

N-butan-2-yl-1-[4-[(2-fluorophenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 504.50 g/mol, XLogP of 4.21, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-butan-2-yl-1-[4-[(2-fluorophenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146061919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).