4-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]benzenesulfonamide

C20H16N4O2S — CID 25210880

IUPAC4-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nccc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C20H16N4O2S/c21-27(25,26)18-9-7-17(8-10-18)23-20-22-12-11-19(24-20)16-6-5-14-3-1-2-4-15(14)13-16/h1-13H,(H2,21,25,26)(H,22,23,24)
InChIKeySXFKMLRIZKPLQA-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.69
Rot. Bonds4

About 4-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]benzenesulfonamide

4-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]benzenesulfonamide (PubChem CID 25210880) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is 4-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]benzenesulfonamide
PubChem CID25210880
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC Name4-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nccc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C20H16N4O2S/c21-27(25,26)18-9-7-17(8-10-18)23-20-22-12-11-19(24-20)16-6-5-14-3-1-2-4-15(14)13-16/h1-13H,(H2,21,25,26)(H,22,23,24)
InChIKeySXFKMLRIZKPLQA-UHFFFAOYSA-N
XLogP3.69
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]benzenesulfonamide (CID 25210880) is 4-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2nccc(-c3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of 4-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]benzenesulfonamide?
The InChIKey is SXFKMLRIZKPLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c21-27(25,26)18-9-7-17(8-10-18)23-20-22-12-11-19(24-20)16-6-5-14-3-1-2-4-15(14)13-16/h1-13H,(H2,21,25,26)(H,22,23,24).
What are the key properties of 4-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]benzenesulfonamide?
4-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]benzenesulfonamide has a molecular weight of 376.44 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 25210880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).