N-[4-(2-hydroxyphenyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide

C22H17N3O4S — CID 170394424

IUPACN-[4-(2-hydroxyphenyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc(Oc2ccccc2)cc(-c2ccccc2O)n1)c1ccccc1
InChIInChI=1S/C22H17N3O4S/c26-20-14-8-7-13-18(20)19-15-21(29-16-9-3-1-4-10-16)24-22(23-19)25-30(27,28)17-11-5-2-6-12-17/h1-15,26H,(H,23,24,25)
InChIKeyCXIYQJVPLROWBT-UHFFFAOYSA-N
MW419.46 g/mol
LogP4.44
Rot. Bonds6

About N-[4-(2-hydroxyphenyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide

N-[4-(2-hydroxyphenyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide (PubChem CID 170394424) has the molecular formula C22H17N3O4S and a molecular weight of 419.46 g/mol. Its IUPAC name is N-[4-(2-hydroxyphenyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyphenyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
PubChem CID170394424
Molecular FormulaC22H17N3O4S
Molecular Weight419.46 g/mol
Exact Mass419.09
IUPAC NameN-[4-(2-hydroxyphenyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc(Oc2ccccc2)cc(-c2ccccc2O)n1)c1ccccc1
InChIInChI=1S/C22H17N3O4S/c26-20-14-8-7-13-18(20)19-15-21(29-16-9-3-1-4-10-16)24-22(23-19)25-30(27,28)17-11-5-2-6-12-17/h1-15,26H,(H,23,24,25)
InChIKeyCXIYQJVPLROWBT-UHFFFAOYSA-N
XLogP4.44
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-phenoxy-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]benzenesulfonamide
CID 170394440
4-[2-(benzenesulfonamido)-6-phenoxypyrimidin-4-yl]benzoic acid
CID 170394517
N-[4-(furan-3-yl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170415389
3-amino-N-[4-(2-methylphenyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 163247412
N-[4-(5-fluoro-2-pyridinyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170394328
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-[3-(hydroxymethyl)-5-methoxyphenyl]-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170394380
N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170394342
N-(4-phenoxy-6-phenylpyrimidin-2-yl)-1H-pyrazole-4-sulfonamide
CID 163247892
3-amino-N-[4-(4-chlorophenoxy)-6-(2-propan-2-ylphenyl)pyrimidin-2-yl]benzenesulfonamide
CID 170392697
N-(4-phenoxy-6-phenylpyrimidin-2-yl)-1,3-thiazole-5-sulfonamide
CID 170395225

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyphenyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide?
The IUPAC name of N-[4-(2-hydroxyphenyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide (CID 170394424) is N-[4-(2-hydroxyphenyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[4-(2-hydroxyphenyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide?
The canonical SMILES for N-[4-(2-hydroxyphenyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide is O=S(=O)(Nc1nc(Oc2ccccc2)cc(-c2ccccc2O)n1)c1ccccc1.
What is the InChIKey of N-[4-(2-hydroxyphenyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide?
The InChIKey is CXIYQJVPLROWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O4S/c26-20-14-8-7-13-18(20)19-15-21(29-16-9-3-1-4-10-16)24-22(23-19)25-30(27,28)17-11-5-2-6-12-17/h1-15,26H,(H,23,24,25).
What are the key properties of N-[4-(2-hydroxyphenyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide?
N-[4-(2-hydroxyphenyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide has a molecular weight of 419.46 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyphenyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide is sourced from PubChem (CID 170394424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).