N-[4-(dimethylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide

C20H17F3N4O3S — CID 59673520

IUPACN-[4-(dimethylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ncccc3C(F)(F)F)cn2)cc1
InChIInChI=1S/C20H17F3N4O3S/c1-27(2)31(29,30)15-8-6-14(7-9-15)26-19(28)17-10-5-13(12-25-17)18-16(20(21,22)23)4-3-11-24-18/h3-12H,1-2H3,(H,26,28)
InChIKeyUEDUULYJOZQYFR-UHFFFAOYSA-N
MW450.44 g/mol
LogP3.66
Rot. Bonds5

About N-[4-(dimethylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide

N-[4-(dimethylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide (PubChem CID 59673520) has the molecular formula C20H17F3N4O3S and a molecular weight of 450.44 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
PubChem CID59673520
Molecular FormulaC20H17F3N4O3S
Molecular Weight450.44 g/mol
Exact Mass450.10
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ncccc3C(F)(F)F)cn2)cc1
InChIInChI=1S/C20H17F3N4O3S/c1-27(2)31(29,30)15-8-6-14(7-9-15)26-19(28)17-10-5-13(12-25-17)18-16(20(21,22)23)4-3-11-24-18/h3-12H,1-2H3,(H,26,28)
InChIKeyUEDUULYJOZQYFR-UHFFFAOYSA-N
XLogP3.66
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide (CID 59673520) is N-[4-(dimethylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide is CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ncccc3C(F)(F)F)cn2)cc1.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide?
The InChIKey is UEDUULYJOZQYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O3S/c1-27(2)31(29,30)15-8-6-14(7-9-15)26-19(28)17-10-5-13(12-25-17)18-16(20(21,22)23)4-3-11-24-18/h3-12H,1-2H3,(H,26,28).
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide?
N-[4-(dimethylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide has a molecular weight of 450.44 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 59673520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).