N-[2-(diethylamino)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide

C20H24F3N3O3S — CID 3691485

IUPACN-[2-(diethylamino)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H24F3N3O3S/c1-3-26(4-2)13-12-24-19(27)15-8-10-17(11-9-15)25-30(28,29)18-7-5-6-16(14-18)20(21,22)23/h5-11,14,25H,3-4,12-13H2,1-2H3,(H,24,27)
InChIKeyIHVWVLXUHIDKHS-UHFFFAOYSA-N
MW443.49 g/mol
LogP3.58
Rot. Bonds9

About N-[2-(diethylamino)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide

N-[2-(diethylamino)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide (PubChem CID 3691485) has the molecular formula C20H24F3N3O3S and a molecular weight of 443.49 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
PubChem CID3691485
Molecular FormulaC20H24F3N3O3S
Molecular Weight443.49 g/mol
Exact Mass443.15
IUPAC NameN-[2-(diethylamino)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H24F3N3O3S/c1-3-26(4-2)13-12-24-19(27)15-8-10-17(11-9-15)25-30(28,29)18-7-5-6-16(14-18)20(21,22)23/h5-11,14,25H,3-4,12-13H2,1-2H3,(H,24,27)
InChIKeyIHVWVLXUHIDKHS-UHFFFAOYSA-N
XLogP3.58
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide (CID 3691485) is N-[2-(diethylamino)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide is CCN(CC)CCNC(=O)c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide?
The InChIKey is IHVWVLXUHIDKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O3S/c1-3-26(4-2)13-12-24-19(27)15-8-10-17(11-9-15)25-30(28,29)18-7-5-6-16(14-18)20(21,22)23/h5-11,14,25H,3-4,12-13H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(diethylamino)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide?
N-[2-(diethylamino)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide has a molecular weight of 443.49 g/mol, XLogP of 3.58, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide is sourced from PubChem (CID 3691485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).