N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide

C23H20F3N3O4S — CID 59165937

IUPACN-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
SMILESCNS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccc(OC(F)(F)F)cc4)CC3)n2)cc1
InChIInChI=1S/C23H20F3N3O4S/c1-27-34(31,32)18-11-5-15(6-12-18)19-3-2-4-20(28-19)29-21(30)22(13-14-22)16-7-9-17(10-8-16)33-23(24,25)26/h2-12,27H,13-14H2,1H3,(H,28,29,30)
InChIKeyFBONHYFZPFGPOU-UHFFFAOYSA-N
MW491.49 g/mol
LogP4.23
Rot. Bonds7

About N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide

N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide (PubChem CID 59165937) has the molecular formula C23H20F3N3O4S and a molecular weight of 491.49 g/mol. Its IUPAC name is N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
PubChem CID59165937
Molecular FormulaC23H20F3N3O4S
Molecular Weight491.49 g/mol
Exact Mass491.11
IUPAC NameN-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
SMILESCNS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccc(OC(F)(F)F)cc4)CC3)n2)cc1
InChIInChI=1S/C23H20F3N3O4S/c1-27-34(31,32)18-11-5-15(6-12-18)19-3-2-4-20(28-19)29-21(30)22(13-14-22)16-7-9-17(10-8-16)33-23(24,25)26/h2-12,27H,13-14H2,1H3,(H,28,29,30)
InChIKeyFBONHYFZPFGPOU-UHFFFAOYSA-N
XLogP4.23
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.49
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide (CID 59165937) is N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide is CNS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccc(OC(F)(F)F)cc4)CC3)n2)cc1.
What is the InChIKey of N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide?
The InChIKey is FBONHYFZPFGPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O4S/c1-27-34(31,32)18-11-5-15(6-12-18)19-3-2-4-20(28-19)29-21(30)22(13-14-22)16-7-9-17(10-8-16)33-23(24,25)26/h2-12,27H,13-14H2,1H3,(H,28,29,30).
What are the key properties of N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide?
N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide has a molecular weight of 491.49 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 59165937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).