N-(3-propanoylphenyl)-5-(trifluoromethyl)pyridine-2-sulfonamide

C15H13F3N2O3S — CID 143347423

IUPACN-(3-propanoylphenyl)-5-(trifluoromethyl)pyridine-2-sulfonamide
SMILESCCC(=O)c1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C15H13F3N2O3S/c1-2-13(21)10-4-3-5-12(8-10)20-24(22,23)14-7-6-11(9-19-14)15(16,17)18/h3-9,20H,2H2,1H3
InChIKeyCQXGKRZTNBBKPZ-UHFFFAOYSA-N
MW358.34 g/mol
LogP3.49
Rot. Bonds5

About N-(3-propanoylphenyl)-5-(trifluoromethyl)pyridine-2-sulfonamide

N-(3-propanoylphenyl)-5-(trifluoromethyl)pyridine-2-sulfonamide (PubChem CID 143347423) has the molecular formula C15H13F3N2O3S and a molecular weight of 358.34 g/mol. Its IUPAC name is N-(3-propanoylphenyl)-5-(trifluoromethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(3-propanoylphenyl)-5-(trifluoromethyl)pyridine-2-sulfonamide
PubChem CID143347423
Molecular FormulaC15H13F3N2O3S
Molecular Weight358.34 g/mol
Exact Mass358.06
IUPAC NameN-(3-propanoylphenyl)-5-(trifluoromethyl)pyridine-2-sulfonamide
SMILESCCC(=O)c1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C15H13F3N2O3S/c1-2-13(21)10-4-3-5-12(8-10)20-24(22,23)14-7-6-11(9-19-14)15(16,17)18/h3-9,20H,2H2,1H3
InChIKeyCQXGKRZTNBBKPZ-UHFFFAOYSA-N
XLogP3.49
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-propanoyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 112838614
N-ethyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 25346546
N-[5-[[3-(trifluoromethyl)phenyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 100546980
3-propanoyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 103833970
methyl 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetate
CID 2800689
N-(3,4-dimethylphenyl)-3-propanoylbenzenesulfonamide
CID 112838625
3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoate
CID 3458292
6-[(3-fluoro-4-hydroxyphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 64782041
N-propyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 26823127
3-cyclopropyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]butanamide
CID 166231144
N-(2,3-dihydro-1H-inden-5-yl)-3-propanoylbenzenesulfonamide
CID 112838618
2-[[(2R)-6-oxo-2-(2-phenylethyl)-2-propyl-5-[(1R)-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylamino]phenyl]propyl]-3H-pyran-4-yl]oxy]acetic acid
CID 58969792

Frequently Asked Questions

What is the IUPAC name of N-(3-propanoylphenyl)-5-(trifluoromethyl)pyridine-2-sulfonamide?
The IUPAC name of N-(3-propanoylphenyl)-5-(trifluoromethyl)pyridine-2-sulfonamide (CID 143347423) is N-(3-propanoylphenyl)-5-(trifluoromethyl)pyridine-2-sulfonamide.
What is the SMILES notation for N-(3-propanoylphenyl)-5-(trifluoromethyl)pyridine-2-sulfonamide?
The canonical SMILES for N-(3-propanoylphenyl)-5-(trifluoromethyl)pyridine-2-sulfonamide is CCC(=O)c1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cn2)c1.
What is the InChIKey of N-(3-propanoylphenyl)-5-(trifluoromethyl)pyridine-2-sulfonamide?
The InChIKey is CQXGKRZTNBBKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O3S/c1-2-13(21)10-4-3-5-12(8-10)20-24(22,23)14-7-6-11(9-19-14)15(16,17)18/h3-9,20H,2H2,1H3.
What are the key properties of N-(3-propanoylphenyl)-5-(trifluoromethyl)pyridine-2-sulfonamide?
N-(3-propanoylphenyl)-5-(trifluoromethyl)pyridine-2-sulfonamide has a molecular weight of 358.34 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propanoylphenyl)-5-(trifluoromethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 143347423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).