2,6-difluoro-4-[3-[4-methyl-3-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide

C19H13F5N2O3S — CID 22745954

IUPAC2,6-difluoro-4-[3-[4-methyl-3-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide
SMILESCc1ccc(-c2cccnc2-c2cc(F)c(S(N)(=O)=O)c(F)c2)cc1OC(F)(F)F
InChIInChI=1S/C19H13F5N2O3S/c1-10-4-5-11(9-16(10)29-19(22,23)24)13-3-2-6-26-17(13)12-7-14(20)18(15(21)8-12)30(25,27)28/h2-9H,1H3,(H2,25,27,28)
InChIKeyOVIXCOLPUKHGTI-UHFFFAOYSA-N
MW444.38 g/mol
LogP4.55
Rot. Bonds4

About 2,6-difluoro-4-[3-[4-methyl-3-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide

2,6-difluoro-4-[3-[4-methyl-3-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide (PubChem CID 22745954) has the molecular formula C19H13F5N2O3S and a molecular weight of 444.38 g/mol. Its IUPAC name is 2,6-difluoro-4-[3-[4-methyl-3-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-4-[3-[4-methyl-3-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide
PubChem CID22745954
Molecular FormulaC19H13F5N2O3S
Molecular Weight444.38 g/mol
Exact Mass444.06
IUPAC Name2,6-difluoro-4-[3-[4-methyl-3-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide
SMILESCc1ccc(-c2cccnc2-c2cc(F)c(S(N)(=O)=O)c(F)c2)cc1OC(F)(F)F
InChIInChI=1S/C19H13F5N2O3S/c1-10-4-5-11(9-16(10)29-19(22,23)24)13-3-2-6-26-17(13)12-7-14(20)18(15(21)8-12)30(25,27)28/h2-9H,1H3,(H2,25,27,28)
InChIKeyOVIXCOLPUKHGTI-UHFFFAOYSA-N
XLogP4.55
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.38
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-chloro-3-methylphenyl)-2-pyridinyl]-2,6-difluorobenzenesulfonamide
CID 22746744
2,6-difluoro-4-[4-[4-methyl-3-(trifluoromethoxy)phenyl]-5-oxo-2H-furan-3-yl]benzenesulfonamide
CID 22746827
2,6-difluoro-4-[3-[3-methyl-4-(trifluoromethoxy)phenyl]-4-pyridinyl]benzenesulfonamide
CID 23090611
2,5-difluoro-4-[3-[3-methyl-4-(trifluoromethyl)phenyl]-2-pyridinyl]benzenesulfonamide
CID 22747366
4-[3-(3-chloro-4-methylphenyl)-2-pyridinyl]-2,5-difluorobenzenesulfonamide
CID 22747285
3-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyridine
CID 144943522
3-phenyl-2-(3,4,5-trifluorophenyl)pyridine
CID 168821667
2-fluoro-1-(trifluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118811736
2,6-difluoro-4-[5-oxo-4-[4-(trifluoromethoxy)phenyl]-2H-furan-3-yl]benzenesulfonamide
CID 22747367
2-chloro-4-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 134625852
5-(4-methoxypyrimidin-5-yl)-2-(trifluoromethoxy)benzenesulfonamide
CID 167980928
4-[2-(2-methyl-3-pyridinyl)-5-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide
CID 54029186

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[3-[4-methyl-3-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,6-difluoro-4-[3-[4-methyl-3-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide (CID 22745954) is 2,6-difluoro-4-[3-[4-methyl-3-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-4-[3-[4-methyl-3-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-4-[3-[4-methyl-3-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide is Cc1ccc(-c2cccnc2-c2cc(F)c(S(N)(=O)=O)c(F)c2)cc1OC(F)(F)F.
What is the InChIKey of 2,6-difluoro-4-[3-[4-methyl-3-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide?
The InChIKey is OVIXCOLPUKHGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F5N2O3S/c1-10-4-5-11(9-16(10)29-19(22,23)24)13-3-2-6-26-17(13)12-7-14(20)18(15(21)8-12)30(25,27)28/h2-9H,1H3,(H2,25,27,28).
What are the key properties of 2,6-difluoro-4-[3-[4-methyl-3-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide?
2,6-difluoro-4-[3-[4-methyl-3-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide has a molecular weight of 444.38 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[3-[4-methyl-3-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 22745954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).