4-[6-methoxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide

C20H17F3N2O4S — CID 23355253

IUPAC4-[6-methoxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide
SMILESCOc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)cc(OC)nc2C(F)(F)F)cc1
InChIInChI=1S/C20H17F3N2O4S/c1-28-14-7-3-13(4-8-14)18-16(11-17(29-2)25-19(18)20(21,22)23)12-5-9-15(10-6-12)30(24,26)27/h3-11H,1-2H3,(H2,24,26,27)
InChIKeyTXPFDJHEWMPTCE-UHFFFAOYSA-N
MW438.43 g/mol
LogP4.10
Rot. Bonds5

About 4-[6-methoxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide

4-[6-methoxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide (PubChem CID 23355253) has the molecular formula C20H17F3N2O4S and a molecular weight of 438.43 g/mol. Its IUPAC name is 4-[6-methoxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[6-methoxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide
PubChem CID23355253
Molecular FormulaC20H17F3N2O4S
Molecular Weight438.43 g/mol
Exact Mass438.09
IUPAC Name4-[6-methoxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide
SMILESCOc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)cc(OC)nc2C(F)(F)F)cc1
InChIInChI=1S/C20H17F3N2O4S/c1-28-14-7-3-13(4-8-14)18-16(11-17(29-2)25-19(18)20(21,22)23)12-5-9-15(10-6-12)30(24,26)27/h3-11H,1-2H3,(H2,24,26,27)
InChIKeyTXPFDJHEWMPTCE-UHFFFAOYSA-N
XLogP4.10
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-methoxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-[6-methoxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide (CID 23355253) is 4-[6-methoxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-[6-methoxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-[6-methoxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide is COc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)cc(OC)nc2C(F)(F)F)cc1.
What is the InChIKey of 4-[6-methoxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide?
The InChIKey is TXPFDJHEWMPTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O4S/c1-28-14-7-3-13(4-8-14)18-16(11-17(29-2)25-19(18)20(21,22)23)12-5-9-15(10-6-12)30(24,26)27/h3-11H,1-2H3,(H2,24,26,27).
What are the key properties of 4-[6-methoxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide?
4-[6-methoxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide has a molecular weight of 438.43 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-methoxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 23355253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).