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

C20H14F6N2O4S — CID 23355254

IUPAC4-[6-methoxy-3-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide
SMILESCOc1cc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(OC(F)(F)F)cc2)c(C(F)(F)F)n1
InChIInChI=1S/C20H14F6N2O4S/c1-31-16-10-15(11-4-8-14(9-5-11)33(27,29)30)17(18(28-16)19(21,22)23)12-2-6-13(7-3-12)32-20(24,25)26/h2-10H,1H3,(H2,27,29,30)
InChIKeyMWZIHXBNNQEFAB-UHFFFAOYSA-N
MW492.40 g/mol
LogP4.99
Rot. Bonds5

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

4-[6-methoxy-3-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide (PubChem CID 23355254) has the molecular formula C20H14F6N2O4S and a molecular weight of 492.40 g/mol. Its IUPAC name is 4-[6-methoxy-3-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[6-methoxy-3-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide
PubChem CID23355254
Molecular FormulaC20H14F6N2O4S
Molecular Weight492.40 g/mol
Exact Mass492.06
IUPAC Name4-[6-methoxy-3-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide
SMILESCOc1cc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(OC(F)(F)F)cc2)c(C(F)(F)F)n1
InChIInChI=1S/C20H14F6N2O4S/c1-31-16-10-15(11-4-8-14(9-5-11)33(27,29)30)17(18(28-16)19(21,22)23)12-2-6-13(7-3-12)32-20(24,25)26/h2-10H,1H3,(H2,27,29,30)
InChIKeyMWZIHXBNNQEFAB-UHFFFAOYSA-N
XLogP4.99
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.40
LogP ≤ 54.99
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-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-[6-methoxy-3-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide (CID 23355254) is 4-[6-methoxy-3-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-[6-methoxy-3-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-[6-methoxy-3-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide is COc1cc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(OC(F)(F)F)cc2)c(C(F)(F)F)n1.
What is the InChIKey of 4-[6-methoxy-3-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide?
The InChIKey is MWZIHXBNNQEFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F6N2O4S/c1-31-16-10-15(11-4-8-14(9-5-11)33(27,29)30)17(18(28-16)19(21,22)23)12-2-6-13(7-3-12)32-20(24,25)26/h2-10H,1H3,(H2,27,29,30).
What are the key properties of 4-[6-methoxy-3-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide?
4-[6-methoxy-3-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide has a molecular weight of 492.40 g/mol, XLogP of 4.99, 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-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 23355254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).