5-fluoro-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]pyridine-3-sulfonamide

C14H12F4N2O2S — CID 175581103

IUPAC5-fluoro-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]pyridine-3-sulfonamide
SMILESCc1ccc(C(NS(=O)(=O)c2cncc(F)c2)C(F)(F)F)cc1
InChIInChI=1S/C14H12F4N2O2S/c1-9-2-4-10(5-3-9)13(14(16,17)18)20-23(21,22)12-6-11(15)7-19-8-12/h2-8,13,20H,1H3
InChIKeyJZJCVADQGQEICJ-UHFFFAOYSA-N
MW348.32 g/mol
LogP3.11
Rot. Bonds4

About 5-fluoro-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]pyridine-3-sulfonamide

5-fluoro-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]pyridine-3-sulfonamide (PubChem CID 175581103) has the molecular formula C14H12F4N2O2S and a molecular weight of 348.32 g/mol. Its IUPAC name is 5-fluoro-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-fluoro-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]pyridine-3-sulfonamide
PubChem CID175581103
Molecular FormulaC14H12F4N2O2S
Molecular Weight348.32 g/mol
Exact Mass348.06
IUPAC Name5-fluoro-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]pyridine-3-sulfonamide
SMILESCc1ccc(C(NS(=O)(=O)c2cncc(F)c2)C(F)(F)F)cc1
InChIInChI=1S/C14H12F4N2O2S/c1-9-2-4-10(5-3-9)13(14(16,17)18)20-23(21,22)12-6-11(15)7-19-8-12/h2-8,13,20H,1H3
InChIKeyJZJCVADQGQEICJ-UHFFFAOYSA-N
XLogP3.11
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 125139473
4-methyl-N-[2,2,3,3,4,4,5,5,5-nonafluoro-1-(4-fluorophenyl)pentyl]benzenesulfonamide
CID 11677675
4,5-dimethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyrimidine-2-sulfonamide
CID 175581067
(2R)-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-3-methylbutanoic acid
CID 79011040
N-(4-aminobutan-2-yl)-5-fluoropyridine-3-sulfonamide
CID 62093672
N-(1-chloro-3-methoxypropan-2-yl)-5-fluoropyridine-3-sulfonamide
CID 106185548
N-[1-(4-chlorophenyl)-2,2-difluoro-4-phenylbut-3-ynyl]-4-methylbenzenesulfonamide
CID 101486861
4-methyl-N-[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 129406222
2,2,2-trifluoro-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 115805337
N-ethyl-5-fluoro-N-[(1S)-1-[3-methyl-4-(trifluoromethyl)phenyl]ethyl]pyridine-3-sulfonamide
CID 176509431
N-(4-bromo-3,5-dimethylphenyl)-5-fluoropyridine-3-sulfonamide
CID 103580466
N-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-sulfonamide;hydrochloride
CID 119983682

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 5-fluoro-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]pyridine-3-sulfonamide (CID 175581103) is 5-fluoro-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-fluoro-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-fluoro-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]pyridine-3-sulfonamide is Cc1ccc(C(NS(=O)(=O)c2cncc(F)c2)C(F)(F)F)cc1.
What is the InChIKey of 5-fluoro-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]pyridine-3-sulfonamide?
The InChIKey is JZJCVADQGQEICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N2O2S/c1-9-2-4-10(5-3-9)13(14(16,17)18)20-23(21,22)12-6-11(15)7-19-8-12/h2-8,13,20H,1H3.
What are the key properties of 5-fluoro-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]pyridine-3-sulfonamide?
5-fluoro-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]pyridine-3-sulfonamide has a molecular weight of 348.32 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 175581103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).