N-[3-(tert-butylsulfamoyl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C18H20F3N3O4S — CID 46698790

IUPACN-[3-(tert-butylsulfamoyl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(OCC(F)(F)F)nc2)c1
InChIInChI=1S/C18H20F3N3O4S/c1-17(2,3)24-29(26,27)14-6-4-5-13(9-14)23-16(25)12-7-8-15(22-10-12)28-11-18(19,20)21/h4-10,24H,11H2,1-3H3,(H,23,25)
InChIKeyHQDFNCYLDKTQQL-UHFFFAOYSA-N
MW431.44 g/mol
LogP3.35
Rot. Bonds6

About N-[3-(tert-butylsulfamoyl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-[3-(tert-butylsulfamoyl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 46698790) has the molecular formula C18H20F3N3O4S and a molecular weight of 431.44 g/mol. Its IUPAC name is N-[3-(tert-butylsulfamoyl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(tert-butylsulfamoyl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID46698790
Molecular FormulaC18H20F3N3O4S
Molecular Weight431.44 g/mol
Exact Mass431.11
IUPAC NameN-[3-(tert-butylsulfamoyl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(OCC(F)(F)F)nc2)c1
InChIInChI=1S/C18H20F3N3O4S/c1-17(2,3)24-29(26,27)14-6-4-5-13(9-14)23-16(25)12-7-8-15(22-10-12)28-11-18(19,20)21/h4-10,24H,11H2,1-3H3,(H,23,25)
InChIKeyHQDFNCYLDKTQQL-UHFFFAOYSA-N
XLogP3.35
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(benzenesulfonamido)-4-methylphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55705667
N-[3-(propylcarbamoyl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55705978
N-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxamide
CID 39736173
N-pyridin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 51323162
N-[3-(thiophene-2-carbonylamino)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55515776
3-(benzylsulfamoyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide
CID 55712137
4-bromo-N-[3-(tert-butylsulfamoyl)phenyl]benzamide
CID 25445720
N-[3-(cyclopropylcarbamoyl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 41405689
3-(tert-butylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 8762521
N-[3-(tetrazol-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 134002005
6-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 55509070
N-[3-(methanesulfonamido)-4-methoxyphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 24673292

Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylsulfamoyl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[3-(tert-butylsulfamoyl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 46698790) is N-[3-(tert-butylsulfamoyl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(tert-butylsulfamoyl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[3-(tert-butylsulfamoyl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(OCC(F)(F)F)nc2)c1.
What is the InChIKey of N-[3-(tert-butylsulfamoyl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is HQDFNCYLDKTQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O4S/c1-17(2,3)24-29(26,27)14-6-4-5-13(9-14)23-16(25)12-7-8-15(22-10-12)28-11-18(19,20)21/h4-10,24H,11H2,1-3H3,(H,23,25).
What are the key properties of N-[3-(tert-butylsulfamoyl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-[3-(tert-butylsulfamoyl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 431.44 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tert-butylsulfamoyl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 46698790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).