3-fluoro-5-[3-[3-methyl-4-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide

C19H14F4N2O3S — CID 18754825

IUPAC3-fluoro-5-[3-[3-methyl-4-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide
SMILESCc1cc(-c2cccnc2-c2cc(F)cc(S(N)(=O)=O)c2)ccc1OC(F)(F)F
InChIInChI=1S/C19H14F4N2O3S/c1-11-7-12(4-5-17(11)28-19(21,22)23)16-3-2-6-25-18(16)13-8-14(20)10-15(9-13)29(24,26)27/h2-10H,1H3,(H2,24,26,27)
InChIKeyMRJSUOABJKSYET-UHFFFAOYSA-N
MW426.39 g/mol
LogP4.41
Rot. Bonds4

About 3-fluoro-5-[3-[3-methyl-4-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide

3-fluoro-5-[3-[3-methyl-4-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide (PubChem CID 18754825) has the molecular formula C19H14F4N2O3S and a molecular weight of 426.39 g/mol. Its IUPAC name is 3-fluoro-5-[3-[3-methyl-4-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-5-[3-[3-methyl-4-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide
PubChem CID18754825
Molecular FormulaC19H14F4N2O3S
Molecular Weight426.39 g/mol
Exact Mass426.07
IUPAC Name3-fluoro-5-[3-[3-methyl-4-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide
SMILESCc1cc(-c2cccnc2-c2cc(F)cc(S(N)(=O)=O)c2)ccc1OC(F)(F)F
InChIInChI=1S/C19H14F4N2O3S/c1-11-7-12(4-5-17(11)28-19(21,22)23)16-3-2-6-25-18(16)13-8-14(20)10-15(9-13)29(24,26)27/h2-10H,1H3,(H2,24,26,27)
InChIKeyMRJSUOABJKSYET-UHFFFAOYSA-N
XLogP4.41
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.39
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-5-[3-[3-methyl-4-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[3-[3-methyl-4-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-5-[3-[3-methyl-4-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide (CID 18754825) is 3-fluoro-5-[3-[3-methyl-4-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-5-[3-[3-methyl-4-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-5-[3-[3-methyl-4-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide is Cc1cc(-c2cccnc2-c2cc(F)cc(S(N)(=O)=O)c2)ccc1OC(F)(F)F.
What is the InChIKey of 3-fluoro-5-[3-[3-methyl-4-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide?
The InChIKey is MRJSUOABJKSYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N2O3S/c1-11-7-12(4-5-17(11)28-19(21,22)23)16-3-2-6-25-18(16)13-8-14(20)10-15(9-13)29(24,26)27/h2-10H,1H3,(H2,24,26,27).
What are the key properties of 3-fluoro-5-[3-[3-methyl-4-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide?
3-fluoro-5-[3-[3-methyl-4-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide has a molecular weight of 426.39 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[3-[3-methyl-4-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 18754825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).