N-[3-(5-oxohexan-3-yl)phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide

C18H19F3N2O3S — CID 71168039

IUPACN-[3-(5-oxohexan-3-yl)phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide
SMILESCCC(CC(C)=O)c1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C18H19F3N2O3S/c1-3-13(9-12(2)24)14-5-4-6-16(10-14)23-27(25,26)17-8-7-15(11-22-17)18(19,20)21/h4-8,10-11,13,23H,3,9H2,1-2H3
InChIKeyISJNJUKNQMOXGQ-UHFFFAOYSA-N
MW400.42 g/mol
LogP4.37
Rot. Bonds7

About N-[3-(5-oxohexan-3-yl)phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide

N-[3-(5-oxohexan-3-yl)phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide (PubChem CID 71168039) has the molecular formula C18H19F3N2O3S and a molecular weight of 400.42 g/mol. Its IUPAC name is N-[3-(5-oxohexan-3-yl)phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(5-oxohexan-3-yl)phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide
PubChem CID71168039
Molecular FormulaC18H19F3N2O3S
Molecular Weight400.42 g/mol
Exact Mass400.11
IUPAC NameN-[3-(5-oxohexan-3-yl)phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide
SMILESCCC(CC(C)=O)c1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C18H19F3N2O3S/c1-3-13(9-12(2)24)14-5-4-6-16(10-14)23-27(25,26)17-8-7-15(11-22-17)18(19,20)21/h4-8,10-11,13,23H,3,9H2,1-2H3
InChIKeyISJNJUKNQMOXGQ-UHFFFAOYSA-N
XLogP4.37
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-[1-(5,6-Dihydro-4-hydroxy-2-oxo-6-phenethyl-6-propyl-2H-pyran-3-yl)-2,2-dimethylpropyl]phenyl)-5-trifluoromethyl-2-pyridinesulfonamide
CID 54451550
CID 9830191
CID 9830191
(2S)-2-amino-4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide
CID 134189929
Gallosemide
CID 68690
N-[3-[1-(4-hydroxy-6-oxo-2-phenethyl-2-propyl-1,3-dioxin-5-yl)propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide
CID 482741
N-[3-[(1R)-1-[(2R)-4-hydroxy-6-oxo-2-(2-phenylethyl)-2-propyl-1,3-dioxin-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide
CID 482744
4-methyl-N-[2-oxo-3-(pyridin-2-ylsulfonylamino)propyl]-2-(3-phenylphenyl)pentanamide
CID 15345958
1-(pyridin-3-ylsulfonyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 16002740
N-(3-ethylphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 6622068
N-[3-[(1R)-1-(4-hydroxy-6-oxo-2,2-dipropyl-3H-pyran-5-yl)propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide
CID 54688030
N-[3-[(4-oxo-5,6,7,8-tetrahydro-1H-phthalazin-1-yl)methyl]phenyl]pyridine-3-sulfonamide
CID 124220953
Acetamide, N-((4-((3-(trifluoromethyl)phenyl)amino)-3-pyridinyl)sulfonyl)-
CID 217033

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-oxohexan-3-yl)phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide?
The IUPAC name of N-[3-(5-oxohexan-3-yl)phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide (CID 71168039) is N-[3-(5-oxohexan-3-yl)phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide.
What is the SMILES notation for N-[3-(5-oxohexan-3-yl)phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide?
The canonical SMILES for N-[3-(5-oxohexan-3-yl)phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide is CCC(CC(C)=O)c1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cn2)c1.
What is the InChIKey of N-[3-(5-oxohexan-3-yl)phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide?
The InChIKey is ISJNJUKNQMOXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3S/c1-3-13(9-12(2)24)14-5-4-6-16(10-14)23-27(25,26)17-8-7-15(11-22-17)18(19,20)21/h4-8,10-11,13,23H,3,9H2,1-2H3.
What are the key properties of N-[3-(5-oxohexan-3-yl)phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide?
N-[3-(5-oxohexan-3-yl)phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide has a molecular weight of 400.42 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-oxohexan-3-yl)phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 71168039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).