3-[8-[2-(trifluoromethyl)-4-pyridinyl]-1,5-naphthyridin-2-yl]benzenesulfonamide

C20H13F3N4O2S — CID 134813901

IUPAC3-[8-[2-(trifluoromethyl)-4-pyridinyl]-1,5-naphthyridin-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccc3nccc(-c4ccnc(C(F)(F)F)c4)c3n2)c1
InChIInChI=1S/C20H13F3N4O2S/c21-20(22,23)18-11-12(6-8-26-18)15-7-9-25-17-5-4-16(27-19(15)17)13-2-1-3-14(10-13)30(24,28)29/h1-11H,(H2,24,28,29)
InChIKeyUNHBOZVTSNPRRO-UHFFFAOYSA-N
MW430.41 g/mol
LogP4.03
Rot. Bonds3

About 3-[8-[2-(trifluoromethyl)-4-pyridinyl]-1,5-naphthyridin-2-yl]benzenesulfonamide

3-[8-[2-(trifluoromethyl)-4-pyridinyl]-1,5-naphthyridin-2-yl]benzenesulfonamide (PubChem CID 134813901) has the molecular formula C20H13F3N4O2S and a molecular weight of 430.41 g/mol. Its IUPAC name is 3-[8-[2-(trifluoromethyl)-4-pyridinyl]-1,5-naphthyridin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-[8-[2-(trifluoromethyl)-4-pyridinyl]-1,5-naphthyridin-2-yl]benzenesulfonamide
PubChem CID134813901
Molecular FormulaC20H13F3N4O2S
Molecular Weight430.41 g/mol
Exact Mass430.07
IUPAC Name3-[8-[2-(trifluoromethyl)-4-pyridinyl]-1,5-naphthyridin-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccc3nccc(-c4ccnc(C(F)(F)F)c4)c3n2)c1
InChIInChI=1S/C20H13F3N4O2S/c21-20(22,23)18-11-12(6-8-26-18)15-7-9-25-17-5-4-16(27-19(15)17)13-2-1-3-14(10-13)30(24,28)29/h1-11H,(H2,24,28,29)
InChIKeyUNHBOZVTSNPRRO-UHFFFAOYSA-N
XLogP4.03
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[8-[2-(trifluoromethyl)-4-pyridinyl]-1,5-naphthyridin-2-yl]benzenesulfonamide?
The IUPAC name of 3-[8-[2-(trifluoromethyl)-4-pyridinyl]-1,5-naphthyridin-2-yl]benzenesulfonamide (CID 134813901) is 3-[8-[2-(trifluoromethyl)-4-pyridinyl]-1,5-naphthyridin-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-[8-[2-(trifluoromethyl)-4-pyridinyl]-1,5-naphthyridin-2-yl]benzenesulfonamide?
The canonical SMILES for 3-[8-[2-(trifluoromethyl)-4-pyridinyl]-1,5-naphthyridin-2-yl]benzenesulfonamide is NS(=O)(=O)c1cccc(-c2ccc3nccc(-c4ccnc(C(F)(F)F)c4)c3n2)c1.
What is the InChIKey of 3-[8-[2-(trifluoromethyl)-4-pyridinyl]-1,5-naphthyridin-2-yl]benzenesulfonamide?
The InChIKey is UNHBOZVTSNPRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4O2S/c21-20(22,23)18-11-12(6-8-26-18)15-7-9-25-17-5-4-16(27-19(15)17)13-2-1-3-14(10-13)30(24,28)29/h1-11H,(H2,24,28,29).
What are the key properties of 3-[8-[2-(trifluoromethyl)-4-pyridinyl]-1,5-naphthyridin-2-yl]benzenesulfonamide?
3-[8-[2-(trifluoromethyl)-4-pyridinyl]-1,5-naphthyridin-2-yl]benzenesulfonamide has a molecular weight of 430.41 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-[2-(trifluoromethyl)-4-pyridinyl]-1,5-naphthyridin-2-yl]benzenesulfonamide is sourced from PubChem (CID 134813901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).