N-(4-phenoxy-6-phenylpyrimidin-2-yl)-1,3-thiazole-5-sulfonamide

C19H14N4O3S2 — CID 170395225

IUPACN-(4-phenoxy-6-phenylpyrimidin-2-yl)-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1nc(Oc2ccccc2)cc(-c2ccccc2)n1)c1cncs1
InChIInChI=1S/C19H14N4O3S2/c24-28(25,18-12-20-13-27-18)23-19-21-16(14-7-3-1-4-8-14)11-17(22-19)26-15-9-5-2-6-10-15/h1-13H,(H,21,22,23)
InChIKeyCRYBZSCOYYLGNL-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.19
Rot. Bonds6

About N-(4-phenoxy-6-phenylpyrimidin-2-yl)-1,3-thiazole-5-sulfonamide

N-(4-phenoxy-6-phenylpyrimidin-2-yl)-1,3-thiazole-5-sulfonamide (PubChem CID 170395225) has the molecular formula C19H14N4O3S2 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-(4-phenoxy-6-phenylpyrimidin-2-yl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-phenoxy-6-phenylpyrimidin-2-yl)-1,3-thiazole-5-sulfonamide
PubChem CID170395225
Molecular FormulaC19H14N4O3S2
Molecular Weight410.48 g/mol
Exact Mass410.05
IUPAC NameN-(4-phenoxy-6-phenylpyrimidin-2-yl)-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1nc(Oc2ccccc2)cc(-c2ccccc2)n1)c1cncs1
InChIInChI=1S/C19H14N4O3S2/c24-28(25,18-12-20-13-27-18)23-19-21-16(14-7-3-1-4-8-14)11-17(22-19)26-15-9-5-2-6-10-15/h1-13H,(H,21,22,23)
InChIKeyCRYBZSCOYYLGNL-UHFFFAOYSA-N
XLogP4.19
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-phenoxy-6-phenylpyrimidin-2-yl)-1H-pyrazole-4-sulfonamide
CID 163247892
N-[4-(4-methylphenoxy)-6-phenylpyrimidin-2-yl]benzenesulfonamide
CID 170392795
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-(furan-3-yl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170415389
methyl 4-[(4-phenoxy-6-phenylpyrimidin-2-yl)sulfamoyl]butanoate
CID 170395264
4-(methoxymethyl)-N-(4-phenoxy-6-phenylpyrimidin-2-yl)piperidine-1-sulfonamide
CID 170395201
N-[4-(2-hydroxyphenyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170394424
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
3-amino-N-[4-(2-methylphenyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 163247412
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-phenoxy-6-phenylpyrimidin-2-yl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(4-phenoxy-6-phenylpyrimidin-2-yl)-1,3-thiazole-5-sulfonamide (CID 170395225) is N-(4-phenoxy-6-phenylpyrimidin-2-yl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(4-phenoxy-6-phenylpyrimidin-2-yl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(4-phenoxy-6-phenylpyrimidin-2-yl)-1,3-thiazole-5-sulfonamide is O=S(=O)(Nc1nc(Oc2ccccc2)cc(-c2ccccc2)n1)c1cncs1.
What is the InChIKey of N-(4-phenoxy-6-phenylpyrimidin-2-yl)-1,3-thiazole-5-sulfonamide?
The InChIKey is CRYBZSCOYYLGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3S2/c24-28(25,18-12-20-13-27-18)23-19-21-16(14-7-3-1-4-8-14)11-17(22-19)26-15-9-5-2-6-10-15/h1-13H,(H,21,22,23).
What are the key properties of N-(4-phenoxy-6-phenylpyrimidin-2-yl)-1,3-thiazole-5-sulfonamide?
N-(4-phenoxy-6-phenylpyrimidin-2-yl)-1,3-thiazole-5-sulfonamide has a molecular weight of 410.48 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxy-6-phenylpyrimidin-2-yl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 170395225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).