N-(4-phenoxy-6-phenylpyrimidin-2-yl)-1H-pyrazole-4-sulfonamide

C19H15N5O3S — CID 163247892

IUPACN-(4-phenoxy-6-phenylpyrimidin-2-yl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1nc(Oc2ccccc2)cc(-c2ccccc2)n1)c1cn[nH]c1
InChIInChI=1S/C19H15N5O3S/c25-28(26,16-12-20-21-13-16)24-19-22-17(14-7-3-1-4-8-14)11-18(23-19)27-15-9-5-2-6-10-15/h1-13H,(H,20,21)(H,22,23,24)
InChIKeyHRLACMWNJOEAFA-UHFFFAOYSA-N
MW393.43 g/mol
LogP3.46
Rot. Bonds6

About N-(4-phenoxy-6-phenylpyrimidin-2-yl)-1H-pyrazole-4-sulfonamide

N-(4-phenoxy-6-phenylpyrimidin-2-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 163247892) has the molecular formula C19H15N5O3S and a molecular weight of 393.43 g/mol. Its IUPAC name is N-(4-phenoxy-6-phenylpyrimidin-2-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-phenoxy-6-phenylpyrimidin-2-yl)-1H-pyrazole-4-sulfonamide
PubChem CID163247892
Molecular FormulaC19H15N5O3S
Molecular Weight393.43 g/mol
Exact Mass393.09
IUPAC NameN-(4-phenoxy-6-phenylpyrimidin-2-yl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1nc(Oc2ccccc2)cc(-c2ccccc2)n1)c1cn[nH]c1
InChIInChI=1S/C19H15N5O3S/c25-28(26,16-12-20-21-13-16)24-19-22-17(14-7-3-1-4-8-14)11-18(23-19)27-15-9-5-2-6-10-15/h1-13H,(H,20,21)(H,22,23,24)
InChIKeyHRLACMWNJOEAFA-UHFFFAOYSA-N
XLogP3.46
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 53.46
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-phenoxy-6-phenylpyrimidin-2-yl)-1,3-thiazole-5-sulfonamide
CID 170395225
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
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
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
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

Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxy-6-phenylpyrimidin-2-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(4-phenoxy-6-phenylpyrimidin-2-yl)-1H-pyrazole-4-sulfonamide (CID 163247892) is N-(4-phenoxy-6-phenylpyrimidin-2-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-phenoxy-6-phenylpyrimidin-2-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(4-phenoxy-6-phenylpyrimidin-2-yl)-1H-pyrazole-4-sulfonamide is O=S(=O)(Nc1nc(Oc2ccccc2)cc(-c2ccccc2)n1)c1cn[nH]c1.
What is the InChIKey of N-(4-phenoxy-6-phenylpyrimidin-2-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is HRLACMWNJOEAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O3S/c25-28(26,16-12-20-21-13-16)24-19-22-17(14-7-3-1-4-8-14)11-18(23-19)27-15-9-5-2-6-10-15/h1-13H,(H,20,21)(H,22,23,24).
What are the key properties of N-(4-phenoxy-6-phenylpyrimidin-2-yl)-1H-pyrazole-4-sulfonamide?
N-(4-phenoxy-6-phenylpyrimidin-2-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 393.43 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxy-6-phenylpyrimidin-2-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 163247892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).