4-(benzenesulfonylmethyl)-6-phenoxy-2-phenylpyrimidine

C23H18N2O3S — CID 1471763

IUPAC4-(benzenesulfonylmethyl)-6-phenoxy-2-phenylpyrimidine
SMILESO=S(=O)(Cc1cc(Oc2ccccc2)nc(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C23H18N2O3S/c26-29(27,21-14-8-3-9-15-21)17-19-16-22(28-20-12-6-2-7-13-20)25-23(24-19)18-10-4-1-5-11-18/h1-16H,17H2
InChIKeyDESWIWBVKGLPQF-UHFFFAOYSA-N
MW402.48 g/mol
LogP4.91
Rot. Bonds6

About 4-(benzenesulfonylmethyl)-6-phenoxy-2-phenylpyrimidine

4-(benzenesulfonylmethyl)-6-phenoxy-2-phenylpyrimidine (PubChem CID 1471763) has the molecular formula C23H18N2O3S and a molecular weight of 402.48 g/mol. Its IUPAC name is 4-(benzenesulfonylmethyl)-6-phenoxy-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(benzenesulfonylmethyl)-6-phenoxy-2-phenylpyrimidine
PubChem CID1471763
Molecular FormulaC23H18N2O3S
Molecular Weight402.48 g/mol
Exact Mass402.10
IUPAC Name4-(benzenesulfonylmethyl)-6-phenoxy-2-phenylpyrimidine
SMILESO=S(=O)(Cc1cc(Oc2ccccc2)nc(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C23H18N2O3S/c26-29(27,21-14-8-3-9-15-21)17-19-16-22(28-20-12-6-2-7-13-20)25-23(24-19)18-10-4-1-5-11-18/h1-16H,17H2
InChIKeyDESWIWBVKGLPQF-UHFFFAOYSA-N
XLogP4.91
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(Benzenesulfinylmethyl)-6-phenoxy-2-phenylpyrimidine
CID 1489491
4-(4-(Methylsulfonyl)phenyl)-2-(p-tolyloxy)-6-(trifluoromethyl)pyrimidine
CID 10476542
[6-(3-Methanesulfonyl-phenyl)-2-methoxy-pyrimidin-4-yl]-[2-(4-methoxy-phenyl)-ethyl]-amine
CID 11582363
4-{[2-(4-Methoxyphenoxy)ethyl]sulfanyl}-2-methylquinazoline
CID 608986
4-Methyl-6-phenoxy-2-phenylpyrimidine
CID 796212
5-(Benzenesulfonyl)-4-(4-methoxyphenoxy)-2-phenylpyrimidine
CID 3509788
4-(4-Methylphenoxy)-5-[(4-methylphenyl)sulfonyl]-2-phenylpyrimidine
CID 3780166
N,N-bis[(2,3-difluorophenyl)methyl]-4-(4-methylsulfonylphenyl)-6-propan-2-yloxypyrimidin-2-amine
CID 44532673
4-(4-(Methylsulfonyl)phenyl)-2-(m-tolyloxy)-6-(trifluoromethyl)pyrimidine
CID 45271998
4-Phenoxy-2,6-diphenylpyrimidine
CID 796085
4-((Methylsulfinyl)methyl)-6-phenoxy-2-(4-pyridinyl)pyrimidine
CID 3270210
4-(4-Methoxyphenoxy)-6-methyl-2-phenylpyrimidine
CID 71459083

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonylmethyl)-6-phenoxy-2-phenylpyrimidine?
The IUPAC name of 4-(benzenesulfonylmethyl)-6-phenoxy-2-phenylpyrimidine (CID 1471763) is 4-(benzenesulfonylmethyl)-6-phenoxy-2-phenylpyrimidine.
What is the SMILES notation for 4-(benzenesulfonylmethyl)-6-phenoxy-2-phenylpyrimidine?
The canonical SMILES for 4-(benzenesulfonylmethyl)-6-phenoxy-2-phenylpyrimidine is O=S(=O)(Cc1cc(Oc2ccccc2)nc(-c2ccccc2)n1)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonylmethyl)-6-phenoxy-2-phenylpyrimidine?
The InChIKey is DESWIWBVKGLPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3S/c26-29(27,21-14-8-3-9-15-21)17-19-16-22(28-20-12-6-2-7-13-20)25-23(24-19)18-10-4-1-5-11-18/h1-16H,17H2.
What are the key properties of 4-(benzenesulfonylmethyl)-6-phenoxy-2-phenylpyrimidine?
4-(benzenesulfonylmethyl)-6-phenoxy-2-phenylpyrimidine has a molecular weight of 402.48 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonylmethyl)-6-phenoxy-2-phenylpyrimidine is sourced from PubChem (CID 1471763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).