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

C19H13F5N2O2S — CID 22746568

IUPAC2,5-difluoro-4-[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-pyridinyl]benzenesulfonamide
SMILESCc1ccc(-c2cccnc2-c2cc(F)c(S(N)(=O)=O)cc2F)cc1C(F)(F)F
InChIInChI=1S/C19H13F5N2O2S/c1-10-4-5-11(7-14(10)19(22,23)24)12-3-2-6-26-18(12)13-8-16(21)17(9-15(13)20)29(25,27)28/h2-9H,1H3,(H2,25,27,28)
InChIKeyJMIXXXMJGLJDDA-UHFFFAOYSA-N
MW428.38 g/mol
LogP4.67
Rot. Bonds3

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

2,5-difluoro-4-[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-pyridinyl]benzenesulfonamide (PubChem CID 22746568) has the molecular formula C19H13F5N2O2S and a molecular weight of 428.38 g/mol. Its IUPAC name is 2,5-difluoro-4-[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-4-[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-pyridinyl]benzenesulfonamide
PubChem CID22746568
Molecular FormulaC19H13F5N2O2S
Molecular Weight428.38 g/mol
Exact Mass428.06
IUPAC Name2,5-difluoro-4-[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-pyridinyl]benzenesulfonamide
SMILESCc1ccc(-c2cccnc2-c2cc(F)c(S(N)(=O)=O)cc2F)cc1C(F)(F)F
InChIInChI=1S/C19H13F5N2O2S/c1-10-4-5-11(7-14(10)19(22,23)24)12-3-2-6-26-18(12)13-8-16(21)17(9-15(13)20)29(25,27)28/h2-9H,1H3,(H2,25,27,28)
InChIKeyJMIXXXMJGLJDDA-UHFFFAOYSA-N
XLogP4.67
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.38
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-4-[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-pyridinyl]benzenesulfonamide (CID 22746568) is 2,5-difluoro-4-[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-4-[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-4-[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-pyridinyl]benzenesulfonamide is Cc1ccc(-c2cccnc2-c2cc(F)c(S(N)(=O)=O)cc2F)cc1C(F)(F)F.
What is the InChIKey of 2,5-difluoro-4-[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-pyridinyl]benzenesulfonamide?
The InChIKey is JMIXXXMJGLJDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F5N2O2S/c1-10-4-5-11(7-14(10)19(22,23)24)12-3-2-6-26-18(12)13-8-16(21)17(9-15(13)20)29(25,27)28/h2-9H,1H3,(H2,25,27,28).
What are the key properties of 2,5-difluoro-4-[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-pyridinyl]benzenesulfonamide?
2,5-difluoro-4-[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-pyridinyl]benzenesulfonamide has a molecular weight of 428.38 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 22746568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).