2,4-difluoro-5-[3-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]benzenesulfonamide

C25H17F5N2O2S — CID 57469018

IUPAC2,4-difluoro-5-[3-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]benzenesulfonamide
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cccc(-c3cc(S(N)(=O)=O)c(F)cc3F)c2)n1
InChIInChI=1S/C25H17F5N2O2S/c1-14-9-18(15-5-7-19(8-6-15)25(28,29)30)11-23(32-14)17-4-2-3-16(10-17)20-12-24(35(31,33)34)22(27)13-21(20)26/h2-13H,1H3,(H2,31,33,34)
InChIKeyQGABOTMSVXSFIQ-UHFFFAOYSA-N
MW504.48 g/mol
LogP6.34
Rot. Bonds4

About 2,4-difluoro-5-[3-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]benzenesulfonamide

2,4-difluoro-5-[3-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]benzenesulfonamide (PubChem CID 57469018) has the molecular formula C25H17F5N2O2S and a molecular weight of 504.48 g/mol. Its IUPAC name is 2,4-difluoro-5-[3-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-5-[3-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]benzenesulfonamide
PubChem CID57469018
Molecular FormulaC25H17F5N2O2S
Molecular Weight504.48 g/mol
Exact Mass504.09
IUPAC Name2,4-difluoro-5-[3-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]benzenesulfonamide
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cccc(-c3cc(S(N)(=O)=O)c(F)cc3F)c2)n1
InChIInChI=1S/C25H17F5N2O2S/c1-14-9-18(15-5-7-19(8-6-15)25(28,29)30)11-23(32-14)17-4-2-3-16(10-17)20-12-24(35(31,33)34)22(27)13-21(20)26/h2-13H,1H3,(H2,31,33,34)
InChIKeyQGABOTMSVXSFIQ-UHFFFAOYSA-N
XLogP6.34
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.48
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-[3-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-5-[3-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]benzenesulfonamide (CID 57469018) is 2,4-difluoro-5-[3-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-5-[3-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-5-[3-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]benzenesulfonamide is Cc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cccc(-c3cc(S(N)(=O)=O)c(F)cc3F)c2)n1.
What is the InChIKey of 2,4-difluoro-5-[3-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]benzenesulfonamide?
The InChIKey is QGABOTMSVXSFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F5N2O2S/c1-14-9-18(15-5-7-19(8-6-15)25(28,29)30)11-23(32-14)17-4-2-3-16(10-17)20-12-24(35(31,33)34)22(27)13-21(20)26/h2-13H,1H3,(H2,31,33,34).
What are the key properties of 2,4-difluoro-5-[3-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]benzenesulfonamide?
2,4-difluoro-5-[3-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]benzenesulfonamide has a molecular weight of 504.48 g/mol, XLogP of 6.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-[3-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 57469018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).