2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-4,6-diphenyl-4H-pyrimidine

C29H23ClN2O2S — CID 102126195

IUPAC2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-4,6-diphenyl-4H-pyrimidine
SMILESCc1ccc(S(=O)(=O)N2C(c3ccc(Cl)cc3)=NC(c3ccccc3)=CC2c2ccccc2)cc1
InChIInChI=1S/C29H23ClN2O2S/c1-21-12-18-26(19-13-21)35(33,34)32-28(23-10-6-3-7-11-23)20-27(22-8-4-2-5-9-22)31-29(32)24-14-16-25(30)17-15-24/h2-20,28H,1H3
InChIKeyZXXYXWWDNYYIEU-UHFFFAOYSA-N
MW499.04 g/mol
LogP6.88
Rot. Bonds5

About 2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-4,6-diphenyl-4H-pyrimidine

2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-4,6-diphenyl-4H-pyrimidine (PubChem CID 102126195) has the molecular formula C29H23ClN2O2S and a molecular weight of 499.04 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-4,6-diphenyl-4H-pyrimidine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-4,6-diphenyl-4H-pyrimidine
PubChem CID102126195
Molecular FormulaC29H23ClN2O2S
Molecular Weight499.04 g/mol
Exact Mass498.12
IUPAC Name2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-4,6-diphenyl-4H-pyrimidine
SMILESCc1ccc(S(=O)(=O)N2C(c3ccc(Cl)cc3)=NC(c3ccccc3)=CC2c2ccccc2)cc1
InChIInChI=1S/C29H23ClN2O2S/c1-21-12-18-26(19-13-21)35(33,34)32-28(23-10-6-3-7-11-23)20-27(22-8-4-2-5-9-22)31-29(32)24-14-16-25(30)17-15-24/h2-20,28H,1H3
InChIKeyZXXYXWWDNYYIEU-UHFFFAOYSA-N
XLogP6.88
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.04
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole
CID 11841107
2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-4,5-dihydroimidazole
CID 134951056
7-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-5-phenyl-3,8-dihydro-1H-pyrrolo[3,4-d]azepine
CID 132583733
1-(4-methylphenyl)sulfonyl-2-phenyl-2H-quinoline
CID 10618601
6-(4-chlorophenyl)-4-phenyl-3-propan-2-yl-4H-triazine
CID 134916139
ethyl 2-[(2S,3R)-3-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-5-phenyl-2,3-dihydropyrrol-2-yl]prop-2-enoate
CID 53231030
(3R)-3-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyloxaziridine
CID 12598044
2-(4-methylphenyl)sulfonyl-3-phenyloxaziridine
CID 10967742
1-(4-chlorophenyl)sulfonyl-5-phenylimidazolidine-2-thione
CID 10428123
5-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 78141035
3-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydropyridin-6-one
CID 155907261
3,5-bis(4-chlorophenyl)-4-cyclohexyl-2-(4-methylphenyl)sulfonyl-3H-1,2,4-triazole
CID 135063237

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-4,6-diphenyl-4H-pyrimidine?
The IUPAC name of 2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-4,6-diphenyl-4H-pyrimidine (CID 102126195) is 2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-4,6-diphenyl-4H-pyrimidine.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-4,6-diphenyl-4H-pyrimidine?
The canonical SMILES for 2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-4,6-diphenyl-4H-pyrimidine is Cc1ccc(S(=O)(=O)N2C(c3ccc(Cl)cc3)=NC(c3ccccc3)=CC2c2ccccc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-4,6-diphenyl-4H-pyrimidine?
The InChIKey is ZXXYXWWDNYYIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23ClN2O2S/c1-21-12-18-26(19-13-21)35(33,34)32-28(23-10-6-3-7-11-23)20-27(22-8-4-2-5-9-22)31-29(32)24-14-16-25(30)17-15-24/h2-20,28H,1H3.
What are the key properties of 2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-4,6-diphenyl-4H-pyrimidine?
2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-4,6-diphenyl-4H-pyrimidine has a molecular weight of 499.04 g/mol, XLogP of 6.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-4,6-diphenyl-4H-pyrimidine is sourced from PubChem (CID 102126195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).