3-fluoro-2-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]propanamide

C23H17F5N4O4S — CID 122685712

IUPAC3-fluoro-2-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]propanamide
SMILESO=C(NCc1cc(-c2ccc(C(F)(F)F)cn2)ccn1)C(CF)NS(=O)(=O)c1cc2cc(F)ccc2o1
InChIInChI=1S/C23H17F5N4O4S/c24-10-19(32-37(34,35)21-9-14-7-16(25)2-4-20(14)36-21)22(33)31-12-17-8-13(5-6-29-17)18-3-1-15(11-30-18)23(26,27)28/h1-9,11,19,32H,10,12H2,(H,31,33)
InChIKeyBLCLFFLVMKSIOZ-UHFFFAOYSA-N
MW540.47 g/mol
LogP3.98
Rot. Bonds8

About 3-fluoro-2-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]propanamide

3-fluoro-2-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]propanamide (PubChem CID 122685712) has the molecular formula C23H17F5N4O4S and a molecular weight of 540.47 g/mol. Its IUPAC name is 3-fluoro-2-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name3-fluoro-2-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]propanamide
PubChem CID122685712
Molecular FormulaC23H17F5N4O4S
Molecular Weight540.47 g/mol
Exact Mass540.09
IUPAC Name3-fluoro-2-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]propanamide
SMILESO=C(NCc1cc(-c2ccc(C(F)(F)F)cn2)ccn1)C(CF)NS(=O)(=O)c1cc2cc(F)ccc2o1
InChIInChI=1S/C23H17F5N4O4S/c24-10-19(32-37(34,35)21-9-14-7-16(25)2-4-20(14)36-21)22(33)31-12-17-8-13(5-6-29-17)18-3-1-15(11-30-18)23(26,27)28/h1-9,11,19,32H,10,12H2,(H,31,33)
InChIKeyBLCLFFLVMKSIOZ-UHFFFAOYSA-N
XLogP3.98
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.47
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-fluoro-2-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]propanamide?
The IUPAC name of 3-fluoro-2-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]propanamide (CID 122685712) is 3-fluoro-2-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]propanamide.
What is the SMILES notation for 3-fluoro-2-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]propanamide?
The canonical SMILES for 3-fluoro-2-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]propanamide is O=C(NCc1cc(-c2ccc(C(F)(F)F)cn2)ccn1)C(CF)NS(=O)(=O)c1cc2cc(F)ccc2o1.
What is the InChIKey of 3-fluoro-2-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]propanamide?
The InChIKey is BLCLFFLVMKSIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F5N4O4S/c24-10-19(32-37(34,35)21-9-14-7-16(25)2-4-20(14)36-21)22(33)31-12-17-8-13(5-6-29-17)18-3-1-15(11-30-18)23(26,27)28/h1-9,11,19,32H,10,12H2,(H,31,33).
What are the key properties of 3-fluoro-2-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]propanamide?
3-fluoro-2-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]propanamide has a molecular weight of 540.47 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]propanamide is sourced from PubChem (CID 122685712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).