4-fluoro-N-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide

C16H14F4N2O3S — CID 162538735

IUPAC4-fluoro-N-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide
SMILESCN(CCS(=O)(=O)c1ccc(C(F)(F)F)cn1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C16H14F4N2O3S/c1-22(15(23)11-2-5-13(17)6-3-11)8-9-26(24,25)14-7-4-12(10-21-14)16(18,19)20/h2-7,10H,8-9H2,1H3
InChIKeyZOEDZSQJSNWKDQ-UHFFFAOYSA-N
MW390.36 g/mol
LogP2.79
Rot. Bonds5

About 4-fluoro-N-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide

4-fluoro-N-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide (PubChem CID 162538735) has the molecular formula C16H14F4N2O3S and a molecular weight of 390.36 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide
PubChem CID162538735
Molecular FormulaC16H14F4N2O3S
Molecular Weight390.36 g/mol
Exact Mass390.07
IUPAC Name4-fluoro-N-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide
SMILESCN(CCS(=O)(=O)c1ccc(C(F)(F)F)cn1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C16H14F4N2O3S/c1-22(15(23)11-2-5-13(17)6-3-11)8-9-26(24,25)14-7-4-12(10-21-14)16(18,19)20/h2-7,10H,8-9H2,1H3
InChIKeyZOEDZSQJSNWKDQ-UHFFFAOYSA-N
XLogP2.79
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]naphthalene-2-carboxamide
CID 127041439
4-propan-2-yl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide
CID 46861630
methyl 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetate
CID 2800689
4-fluoro-N-methyl-N-propylbenzamide
CID 60928889
4-[methyl-[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid
CID 115596387
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 8503139
2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl 2,3,3-trichloroprop-2-enoate
CID 2779715
N-ethyl-4-fluoro-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide
CID 146577195
N-methyl-N-[2-[methyl-[6-(trifluoromethyl)pyridine-3-carbonyl]amino]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 112843302
2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetonitrile
CID 2820801
5-(trifluoromethyl)pyridine-2-sulfonic acid;hydrochloride
CID 174615079
N-methyl-N-(2H-tetrazol-5-ylmethyl)-4-(trifluoromethyl)benzamide
CID 84514577

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide?
The IUPAC name of 4-fluoro-N-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide (CID 162538735) is 4-fluoro-N-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide is CN(CCS(=O)(=O)c1ccc(C(F)(F)F)cn1)C(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide?
The InChIKey is ZOEDZSQJSNWKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4N2O3S/c1-22(15(23)11-2-5-13(17)6-3-11)8-9-26(24,25)14-7-4-12(10-21-14)16(18,19)20/h2-7,10H,8-9H2,1H3.
What are the key properties of 4-fluoro-N-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide?
4-fluoro-N-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide has a molecular weight of 390.36 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide is sourced from PubChem (CID 162538735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).