N-[2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropyl]-4-(trifluoromethyl)pyridine-2-carboxamide

C18H16F6N2O3S — CID 88932695

IUPACN-[2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropyl]-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(CNC(=O)c1cc(C(F)(F)F)ccn1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H16F6N2O3S/c1-16(2,30(28,29)13-5-3-4-11(8-13)17(19,20)21)10-26-15(27)14-9-12(6-7-25-14)18(22,23)24/h3-9H,10H2,1-2H3,(H,26,27)
InChIKeyQBAZNJPBYWWSDA-UHFFFAOYSA-N
MW454.39 g/mol
LogP4.10
Rot. Bonds5

About N-[2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropyl]-4-(trifluoromethyl)pyridine-2-carboxamide

N-[2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropyl]-4-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 88932695) has the molecular formula C18H16F6N2O3S and a molecular weight of 454.39 g/mol. Its IUPAC name is N-[2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropyl]-4-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropyl]-4-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID88932695
Molecular FormulaC18H16F6N2O3S
Molecular Weight454.39 g/mol
Exact Mass454.08
IUPAC NameN-[2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropyl]-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(CNC(=O)c1cc(C(F)(F)F)ccn1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H16F6N2O3S/c1-16(2,30(28,29)13-5-3-4-11(8-13)17(19,20)21)10-26-15(27)14-9-12(6-7-25-14)18(22,23)24/h3-9H,10H2,1-2H3,(H,26,27)
InChIKeyQBAZNJPBYWWSDA-UHFFFAOYSA-N
XLogP4.10
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.39
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-fluoro-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropyl]benzamide
CID 90100360
4-(trifluoromethyl)pyridine-2-carbohydrazide
CID 90455852
2-methylsulfonyl-N-[3-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylbutyl]-6-(trifluoromethyl)pyridine-4-carboxamide
CID 88932700
4-fluoro-N-[3-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylbutyl]-3-(trifluoromethyl)benzamide
CID 88932795
1-amino-N-[3-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylbutyl]cyclobutane-1-carboxamide
CID 90101230
N-[2-(dimethylamino)ethyl]-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109207209
5-methyl-N-[3-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 90100562
N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 88933020
N-methyl-4-[3-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]pyridine-2-carboxamide
CID 70682282
2-N-pentyl-4-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109089898
2,2-difluoro-2-[3-(trifluoromethyl)phenyl]sulfonylacetic acid
CID 81218082
N-(2-methylpropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109297024

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropyl]-4-(trifluoromethyl)pyridine-2-carboxamide (CID 88932695) is N-[2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropyl]-4-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropyl]-4-(trifluoromethyl)pyridine-2-carboxamide is CC(C)(CNC(=O)c1cc(C(F)(F)F)ccn1)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is QBAZNJPBYWWSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F6N2O3S/c1-16(2,30(28,29)13-5-3-4-11(8-13)17(19,20)21)10-26-15(27)14-9-12(6-7-25-14)18(22,23)24/h3-9H,10H2,1-2H3,(H,26,27).
What are the key properties of N-[2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropyl]-4-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 454.39 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropyl]-4-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 88932695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).