4-propan-2-yl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide

C18H19F3N2O3S — CID 46861630

IUPAC4-propan-2-yl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide
SMILESCC(C)c1ccc(C(=O)NCCS(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C18H19F3N2O3S/c1-12(2)13-3-5-14(6-4-13)17(24)22-9-10-27(25,26)16-8-7-15(11-23-16)18(19,20)21/h3-8,11-12H,9-10H2,1-2H3,(H,22,24)
InChIKeyGHBZLXDHSDWXNZ-UHFFFAOYSA-N
MW400.42 g/mol
LogP3.43
Rot. Bonds6

About 4-propan-2-yl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide

4-propan-2-yl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide (PubChem CID 46861630) has the molecular formula C18H19F3N2O3S and a molecular weight of 400.42 g/mol. Its IUPAC name is 4-propan-2-yl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide.

Molecular Properties

Compound Name4-propan-2-yl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide
PubChem CID46861630
Molecular FormulaC18H19F3N2O3S
Molecular Weight400.42 g/mol
Exact Mass400.11
IUPAC Name4-propan-2-yl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide
SMILESCC(C)c1ccc(C(=O)NCCS(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C18H19F3N2O3S/c1-12(2)13-3-5-14(6-4-13)17(24)22-9-10-27(25,26)16-8-7-15(11-23-16)18(19,20)21/h3-8,11-12H,9-10H2,1-2H3,(H,22,24)
InChIKeyGHBZLXDHSDWXNZ-UHFFFAOYSA-N
XLogP3.43
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]isoquinoline-1-carboxamide
CID 127037692
4-fluoro-N-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide
CID 162538735
N-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)benzamide
CID 71822293
methyl 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetate
CID 2800689
2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanoic acid
CID 5101803
N-(3-dimethylphosphorylpropyl)-5-(trifluoromethyl)pyridine-2-sulfonamide
CID 166295575
N-(2-methylpropyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24537188
N-benzyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]naphthalene-2-carboxamide
CID 127041439
N-[2-(sulfamoylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 75402734
methyl 3-[[4-[3-methyl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]phenoxy]butyl]benzoyl]amino]propanoate
CID 67153519
4-fluoro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 46423305
2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl 2,3,3-trichloroprop-2-enoate
CID 2779715

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide?
The IUPAC name of 4-propan-2-yl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide (CID 46861630) is 4-propan-2-yl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide.
What is the SMILES notation for 4-propan-2-yl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide?
The canonical SMILES for 4-propan-2-yl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide is CC(C)c1ccc(C(=O)NCCS(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of 4-propan-2-yl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide?
The InChIKey is GHBZLXDHSDWXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3S/c1-12(2)13-3-5-14(6-4-13)17(24)22-9-10-27(25,26)16-8-7-15(11-23-16)18(19,20)21/h3-8,11-12H,9-10H2,1-2H3,(H,22,24).
What are the key properties of 4-propan-2-yl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide?
4-propan-2-yl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide has a molecular weight of 400.42 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide is sourced from PubChem (CID 46861630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).