N-[4-(4-methylphenoxy)-6-phenylpyrimidin-2-yl]benzenesulfonamide

C23H19N3O3S — CID 170392795

IUPACN-[4-(4-methylphenoxy)-6-phenylpyrimidin-2-yl]benzenesulfonamide
SMILESCc1ccc(Oc2cc(-c3ccccc3)nc(NS(=O)(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C23H19N3O3S/c1-17-12-14-19(15-13-17)29-22-16-21(18-8-4-2-5-9-18)24-23(25-22)26-30(27,28)20-10-6-3-7-11-20/h2-16H,1H3,(H,24,25,26)
InChIKeyCZBNMTVCUCNTJU-UHFFFAOYSA-N
MW417.49 g/mol
LogP5.05
Rot. Bonds6

About N-[4-(4-methylphenoxy)-6-phenylpyrimidin-2-yl]benzenesulfonamide

N-[4-(4-methylphenoxy)-6-phenylpyrimidin-2-yl]benzenesulfonamide (PubChem CID 170392795) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[4-(4-methylphenoxy)-6-phenylpyrimidin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-methylphenoxy)-6-phenylpyrimidin-2-yl]benzenesulfonamide
PubChem CID170392795
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC NameN-[4-(4-methylphenoxy)-6-phenylpyrimidin-2-yl]benzenesulfonamide
SMILESCc1ccc(Oc2cc(-c3ccccc3)nc(NS(=O)(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C23H19N3O3S/c1-17-12-14-19(15-13-17)29-22-16-21(18-8-4-2-5-9-18)24-23(25-22)26-30(27,28)20-10-6-3-7-11-20/h2-16H,1H3,(H,24,25,26)
InChIKeyCZBNMTVCUCNTJU-UHFFFAOYSA-N
XLogP5.05
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.49
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(benzenesulfonamido)-6-phenoxypyrimidin-4-yl]benzoic acid
CID 170394517
N-[4-(6-amino-3-pyridinyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170394362
N-(4-phenoxy-6-phenylpyrimidin-2-yl)-1H-pyrazole-4-sulfonamide
CID 163247892
N-[4-(furan-3-yl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170415389
N-[4-(2-hydroxyphenyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170394424
N-[4-[3-(hydroxymethyl)-5-methoxyphenyl]-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170394380
N-[4-(5-fluoro-2-pyridinyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170394328
N-(4-phenoxy-6-phenylpyrimidin-2-yl)-1,3-thiazole-5-sulfonamide
CID 170395225
3-amino-N-[4-(2-methylphenyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 163247412
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
N-[4-phenoxy-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]benzenesulfonamide
CID 170394440

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenoxy)-6-phenylpyrimidin-2-yl]benzenesulfonamide?
The IUPAC name of N-[4-(4-methylphenoxy)-6-phenylpyrimidin-2-yl]benzenesulfonamide (CID 170392795) is N-[4-(4-methylphenoxy)-6-phenylpyrimidin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[4-(4-methylphenoxy)-6-phenylpyrimidin-2-yl]benzenesulfonamide?
The canonical SMILES for N-[4-(4-methylphenoxy)-6-phenylpyrimidin-2-yl]benzenesulfonamide is Cc1ccc(Oc2cc(-c3ccccc3)nc(NS(=O)(=O)c3ccccc3)n2)cc1.
What is the InChIKey of N-[4-(4-methylphenoxy)-6-phenylpyrimidin-2-yl]benzenesulfonamide?
The InChIKey is CZBNMTVCUCNTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S/c1-17-12-14-19(15-13-17)29-22-16-21(18-8-4-2-5-9-18)24-23(25-22)26-30(27,28)20-10-6-3-7-11-20/h2-16H,1H3,(H,24,25,26).
What are the key properties of N-[4-(4-methylphenoxy)-6-phenylpyrimidin-2-yl]benzenesulfonamide?
N-[4-(4-methylphenoxy)-6-phenylpyrimidin-2-yl]benzenesulfonamide has a molecular weight of 417.49 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenoxy)-6-phenylpyrimidin-2-yl]benzenesulfonamide is sourced from PubChem (CID 170392795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).