N-[(6-phenoxy-3-pyridinyl)sulfonyl]-2,4-bis(trifluoromethyl)benzamide

C20H12F6N2O4S — CID 24997869

IUPACN-[(6-phenoxy-3-pyridinyl)sulfonyl]-2,4-bis(trifluoromethyl)benzamide
SMILESO=C(NS(=O)(=O)c1ccc(Oc2ccccc2)nc1)c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C20H12F6N2O4S/c21-19(22,23)12-6-8-15(16(10-12)20(24,25)26)18(29)28-33(30,31)14-7-9-17(27-11-14)32-13-4-2-1-3-5-13/h1-11H,(H,28,29)
InChIKeyPQCAHDJGQVSWJF-UHFFFAOYSA-N
MW490.38 g/mol
LogP5.03
Rot. Bonds5

About N-[(6-phenoxy-3-pyridinyl)sulfonyl]-2,4-bis(trifluoromethyl)benzamide

N-[(6-phenoxy-3-pyridinyl)sulfonyl]-2,4-bis(trifluoromethyl)benzamide (PubChem CID 24997869) has the molecular formula C20H12F6N2O4S and a molecular weight of 490.38 g/mol. Its IUPAC name is N-[(6-phenoxy-3-pyridinyl)sulfonyl]-2,4-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(6-phenoxy-3-pyridinyl)sulfonyl]-2,4-bis(trifluoromethyl)benzamide
PubChem CID24997869
Molecular FormulaC20H12F6N2O4S
Molecular Weight490.38 g/mol
Exact Mass490.04
IUPAC NameN-[(6-phenoxy-3-pyridinyl)sulfonyl]-2,4-bis(trifluoromethyl)benzamide
SMILESO=C(NS(=O)(=O)c1ccc(Oc2ccccc2)nc1)c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C20H12F6N2O4S/c21-19(22,23)12-6-8-15(16(10-12)20(24,25)26)18(29)28-33(30,31)14-7-9-17(27-11-14)32-13-4-2-1-3-5-13/h1-11H,(H,28,29)
InChIKeyPQCAHDJGQVSWJF-UHFFFAOYSA-N
XLogP5.03
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.38
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-phenoxy-3-pyridinyl)sulfonyl]-2,4-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[(6-phenoxy-3-pyridinyl)sulfonyl]-2,4-bis(trifluoromethyl)benzamide (CID 24997869) is N-[(6-phenoxy-3-pyridinyl)sulfonyl]-2,4-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(6-phenoxy-3-pyridinyl)sulfonyl]-2,4-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[(6-phenoxy-3-pyridinyl)sulfonyl]-2,4-bis(trifluoromethyl)benzamide is O=C(NS(=O)(=O)c1ccc(Oc2ccccc2)nc1)c1ccc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of N-[(6-phenoxy-3-pyridinyl)sulfonyl]-2,4-bis(trifluoromethyl)benzamide?
The InChIKey is PQCAHDJGQVSWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F6N2O4S/c21-19(22,23)12-6-8-15(16(10-12)20(24,25)26)18(29)28-33(30,31)14-7-9-17(27-11-14)32-13-4-2-1-3-5-13/h1-11H,(H,28,29).
What are the key properties of N-[(6-phenoxy-3-pyridinyl)sulfonyl]-2,4-bis(trifluoromethyl)benzamide?
N-[(6-phenoxy-3-pyridinyl)sulfonyl]-2,4-bis(trifluoromethyl)benzamide has a molecular weight of 490.38 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-phenoxy-3-pyridinyl)sulfonyl]-2,4-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 24997869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).