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

C25H17FN4O2S — CID 53345829

IUPAC4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cncc(-c3cc(-c4ccccc4F)nc4ncccc34)c2)cc1
InChIInChI=1S/C25H17FN4O2S/c26-23-6-2-1-4-21(23)24-13-22(20-5-3-11-29-25(20)30-24)18-12-17(14-28-15-18)16-7-9-19(10-8-16)33(27,31)32/h1-15H,(H2,27,31,32)
InChIKeyRKDPINFJLOEWNI-UHFFFAOYSA-N
MW456.50 g/mol
LogP4.81
Rot. Bonds4

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

4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]benzenesulfonamide (PubChem CID 53345829) has the molecular formula C25H17FN4O2S and a molecular weight of 456.50 g/mol. Its IUPAC name is 4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]benzenesulfonamide
PubChem CID53345829
Molecular FormulaC25H17FN4O2S
Molecular Weight456.50 g/mol
Exact Mass456.11
IUPAC Name4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cncc(-c3cc(-c4ccccc4F)nc4ncccc34)c2)cc1
InChIInChI=1S/C25H17FN4O2S/c26-23-6-2-1-4-21(23)24-13-22(20-5-3-11-29-25(20)30-24)18-12-17(14-28-15-18)16-7-9-19(10-8-16)33(27,31)32/h1-15H,(H2,27,31,32)
InChIKeyRKDPINFJLOEWNI-UHFFFAOYSA-N
XLogP4.81
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]benzenesulfonamide (CID 53345829) is 4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2cncc(-c3cc(-c4ccccc4F)nc4ncccc34)c2)cc1.
What is the InChIKey of 4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is RKDPINFJLOEWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN4O2S/c26-23-6-2-1-4-21(23)24-13-22(20-5-3-11-29-25(20)30-24)18-12-17(14-28-15-18)16-7-9-19(10-8-16)33(27,31)32/h1-15H,(H2,27,31,32).
What are the key properties of 4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]benzenesulfonamide?
4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 456.50 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 53345829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).