(4-chlorophenyl)-[3-(4-methylphenyl)sulfonyl-2-phenylimidazol-4-yl]methanol

C23H19ClN2O3S — CID 171986052

IUPAC(4-chlorophenyl)-[3-(4-methylphenyl)sulfonyl-2-phenylimidazol-4-yl]methanol
SMILESCc1ccc(S(=O)(=O)n2c(C(O)c3ccc(Cl)cc3)cnc2-c2ccccc2)cc1
InChIInChI=1S/C23H19ClN2O3S/c1-16-7-13-20(14-8-16)30(28,29)26-21(22(27)17-9-11-19(24)12-10-17)15-25-23(26)18-5-3-2-4-6-18/h2-15,22,27H,1H3
InChIKeyCXLSEMIRMAXJLV-UHFFFAOYSA-N
MW438.94 g/mol
LogP4.83
Rot. Bonds5

About (4-chlorophenyl)-[3-(4-methylphenyl)sulfonyl-2-phenylimidazol-4-yl]methanol

(4-chlorophenyl)-[3-(4-methylphenyl)sulfonyl-2-phenylimidazol-4-yl]methanol (PubChem CID 171986052) has the molecular formula C23H19ClN2O3S and a molecular weight of 438.94 g/mol. Its IUPAC name is (4-chlorophenyl)-[3-(4-methylphenyl)sulfonyl-2-phenylimidazol-4-yl]methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-[3-(4-methylphenyl)sulfonyl-2-phenylimidazol-4-yl]methanol
PubChem CID171986052
Molecular FormulaC23H19ClN2O3S
Molecular Weight438.94 g/mol
Exact Mass438.08
IUPAC Name(4-chlorophenyl)-[3-(4-methylphenyl)sulfonyl-2-phenylimidazol-4-yl]methanol
SMILESCc1ccc(S(=O)(=O)n2c(C(O)c3ccc(Cl)cc3)cnc2-c2ccccc2)cc1
InChIInChI=1S/C23H19ClN2O3S/c1-16-7-13-20(14-8-16)30(28,29)26-21(22(27)17-9-11-19(24)12-10-17)15-25-23(26)18-5-3-2-4-6-18/h2-15,22,27H,1H3
InChIKeyCXLSEMIRMAXJLV-UHFFFAOYSA-N
XLogP4.83
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.94
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-chlorophenyl)-phenylmethyl]sulfonyl-4-methylbenzene
CID 25242109
5-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-diphenylpyrazole
CID 15359150
1-(4-methylphenyl)sulfonyl-3,5-diphenyl-1,2,4-triazole
CID 86233643
2-(4-methylphenyl)sulfonyl-6-phenylpyridazin-3-one
CID 13482071
5,5-bis(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-1,2-oxazole
CID 102308221
3-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
CID 86224949
1-(4-chlorophenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazole
CID 175728995
2-(4-methylphenyl)sulfonyl-5-phenyl-4H-1,2,4-triazol-3-one
CID 135494515
7-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-5-phenyl-3,8-dihydro-1H-pyrrolo[3,4-d]azepine
CID 132583733
2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-4,6-diphenyl-4H-pyrimidine
CID 102126195
5-chloro-4-deuterio-1-(4-methylphenyl)sulfonyl-2-methylsulfanyl-3-phenylindole
CID 175784604
5-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole
CID 11841107

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[3-(4-methylphenyl)sulfonyl-2-phenylimidazol-4-yl]methanol?
The IUPAC name of (4-chlorophenyl)-[3-(4-methylphenyl)sulfonyl-2-phenylimidazol-4-yl]methanol (CID 171986052) is (4-chlorophenyl)-[3-(4-methylphenyl)sulfonyl-2-phenylimidazol-4-yl]methanol.
What is the SMILES notation for (4-chlorophenyl)-[3-(4-methylphenyl)sulfonyl-2-phenylimidazol-4-yl]methanol?
The canonical SMILES for (4-chlorophenyl)-[3-(4-methylphenyl)sulfonyl-2-phenylimidazol-4-yl]methanol is Cc1ccc(S(=O)(=O)n2c(C(O)c3ccc(Cl)cc3)cnc2-c2ccccc2)cc1.
What is the InChIKey of (4-chlorophenyl)-[3-(4-methylphenyl)sulfonyl-2-phenylimidazol-4-yl]methanol?
The InChIKey is CXLSEMIRMAXJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3S/c1-16-7-13-20(14-8-16)30(28,29)26-21(22(27)17-9-11-19(24)12-10-17)15-25-23(26)18-5-3-2-4-6-18/h2-15,22,27H,1H3.
What are the key properties of (4-chlorophenyl)-[3-(4-methylphenyl)sulfonyl-2-phenylimidazol-4-yl]methanol?
(4-chlorophenyl)-[3-(4-methylphenyl)sulfonyl-2-phenylimidazol-4-yl]methanol has a molecular weight of 438.94 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[3-(4-methylphenyl)sulfonyl-2-phenylimidazol-4-yl]methanol is sourced from PubChem (CID 171986052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).