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

C19H14F4N2O2S — CID 18754432

IUPAC3-fluoro-5-[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-pyridinyl]benzenesulfonamide
SMILESCc1ccc(-c2cccnc2-c2cc(F)cc(S(N)(=O)=O)c2)cc1C(F)(F)F
InChIInChI=1S/C19H14F4N2O2S/c1-11-4-5-12(9-17(11)19(21,22)23)16-3-2-6-25-18(16)13-7-14(20)10-15(8-13)28(24,26)27/h2-10H,1H3,(H2,24,26,27)
InChIKeyXOCJFSMCAPJOFI-UHFFFAOYSA-N
MW410.39 g/mol
LogP4.53
Rot. Bonds3

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

3-fluoro-5-[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-pyridinyl]benzenesulfonamide (PubChem CID 18754432) has the molecular formula C19H14F4N2O2S and a molecular weight of 410.39 g/mol. Its IUPAC name is 3-fluoro-5-[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-5-[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-pyridinyl]benzenesulfonamide
PubChem CID18754432
Molecular FormulaC19H14F4N2O2S
Molecular Weight410.39 g/mol
Exact Mass410.07
IUPAC Name3-fluoro-5-[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-pyridinyl]benzenesulfonamide
SMILESCc1ccc(-c2cccnc2-c2cc(F)cc(S(N)(=O)=O)c2)cc1C(F)(F)F
InChIInChI=1S/C19H14F4N2O2S/c1-11-4-5-12(9-17(11)19(21,22)23)16-3-2-6-25-18(16)13-7-14(20)10-15(8-13)28(24,26)27/h2-10H,1H3,(H2,24,26,27)
InChIKeyXOCJFSMCAPJOFI-UHFFFAOYSA-N
XLogP4.53
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-5-[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-pyridinyl]benzenesulfonamide (CID 18754432) is 3-fluoro-5-[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-5-[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-5-[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-pyridinyl]benzenesulfonamide is Cc1ccc(-c2cccnc2-c2cc(F)cc(S(N)(=O)=O)c2)cc1C(F)(F)F.
What is the InChIKey of 3-fluoro-5-[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-pyridinyl]benzenesulfonamide?
The InChIKey is XOCJFSMCAPJOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N2O2S/c1-11-4-5-12(9-17(11)19(21,22)23)16-3-2-6-25-18(16)13-7-14(20)10-15(8-13)28(24,26)27/h2-10H,1H3,(H2,24,26,27).
What are the key properties of 3-fluoro-5-[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-pyridinyl]benzenesulfonamide?
3-fluoro-5-[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-pyridinyl]benzenesulfonamide has a molecular weight of 410.39 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 18754432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).