4-[2-(benzenesulfonamido)-6-phenoxypyrimidin-4-yl]benzoic acid

C23H17N3O5S — CID 170394517

IUPAC4-[2-(benzenesulfonamido)-6-phenoxypyrimidin-4-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cc(Oc3ccccc3)nc(NS(=O)(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C23H17N3O5S/c27-22(28)17-13-11-16(12-14-17)20-15-21(31-18-7-3-1-4-8-18)25-23(24-20)26-32(29,30)19-9-5-2-6-10-19/h1-15H,(H,27,28)(H,24,25,26)
InChIKeyYKIAUAAIFGELGY-UHFFFAOYSA-N
MW447.47 g/mol
LogP4.43
Rot. Bonds7

About 4-[2-(benzenesulfonamido)-6-phenoxypyrimidin-4-yl]benzoic acid

4-[2-(benzenesulfonamido)-6-phenoxypyrimidin-4-yl]benzoic acid (PubChem CID 170394517) has the molecular formula C23H17N3O5S and a molecular weight of 447.47 g/mol. Its IUPAC name is 4-[2-(benzenesulfonamido)-6-phenoxypyrimidin-4-yl]benzoic acid.

Molecular Properties

Compound Name4-[2-(benzenesulfonamido)-6-phenoxypyrimidin-4-yl]benzoic acid
PubChem CID170394517
Molecular FormulaC23H17N3O5S
Molecular Weight447.47 g/mol
Exact Mass447.09
IUPAC Name4-[2-(benzenesulfonamido)-6-phenoxypyrimidin-4-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cc(Oc3ccccc3)nc(NS(=O)(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C23H17N3O5S/c27-22(28)17-13-11-16(12-14-17)20-15-21(31-18-7-3-1-4-8-18)25-23(24-20)26-32(29,30)19-9-5-2-6-10-19/h1-15H,(H,27,28)(H,24,25,26)
InChIKeyYKIAUAAIFGELGY-UHFFFAOYSA-N
XLogP4.43
TPSA118.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-methylphenoxy)-6-phenylpyrimidin-2-yl]benzenesulfonamide
CID 170392795
N-[4-(6-amino-3-pyridinyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170394362
N-[4-(2-hydroxyphenyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170394424
N-[4-(furan-3-yl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170415389
N-(4-phenoxy-6-phenylpyrimidin-2-yl)-1H-pyrazole-4-sulfonamide
CID 163247892
N-[4-(5-fluoro-2-pyridinyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170394328
N-[4-[3-(hydroxymethyl)-5-methoxyphenyl]-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170394380
N-[4-phenoxy-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]benzenesulfonamide
CID 170394440
N-(4-phenoxy-6-phenylpyrimidin-2-yl)-1,3-thiazole-5-sulfonamide
CID 170395225
N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170394342
methyl 4-[(4-phenoxy-6-phenylpyrimidin-2-yl)sulfamoyl]butanoate
CID 170395264
3-[2-(benzenesulfonamido)-6-(2,6-dimethylphenyl)pyrimidin-4-yl]oxy-4-chlorobenzoic acid
CID 163248006

Frequently Asked Questions

What is the IUPAC name of 4-[2-(benzenesulfonamido)-6-phenoxypyrimidin-4-yl]benzoic acid?
The IUPAC name of 4-[2-(benzenesulfonamido)-6-phenoxypyrimidin-4-yl]benzoic acid (CID 170394517) is 4-[2-(benzenesulfonamido)-6-phenoxypyrimidin-4-yl]benzoic acid.
What is the SMILES notation for 4-[2-(benzenesulfonamido)-6-phenoxypyrimidin-4-yl]benzoic acid?
The canonical SMILES for 4-[2-(benzenesulfonamido)-6-phenoxypyrimidin-4-yl]benzoic acid is O=C(O)c1ccc(-c2cc(Oc3ccccc3)nc(NS(=O)(=O)c3ccccc3)n2)cc1.
What is the InChIKey of 4-[2-(benzenesulfonamido)-6-phenoxypyrimidin-4-yl]benzoic acid?
The InChIKey is YKIAUAAIFGELGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O5S/c27-22(28)17-13-11-16(12-14-17)20-15-21(31-18-7-3-1-4-8-18)25-23(24-20)26-32(29,30)19-9-5-2-6-10-19/h1-15H,(H,27,28)(H,24,25,26).
What are the key properties of 4-[2-(benzenesulfonamido)-6-phenoxypyrimidin-4-yl]benzoic acid?
4-[2-(benzenesulfonamido)-6-phenoxypyrimidin-4-yl]benzoic acid has a molecular weight of 447.47 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(benzenesulfonamido)-6-phenoxypyrimidin-4-yl]benzoic acid is sourced from PubChem (CID 170394517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).