2-(3,5-dichloro-4-methoxyphenyl)-1-(4-methylphenyl)sulfonylimidazole

C17H14Cl2N2O3S — CID 110532647

IUPAC2-(3,5-dichloro-4-methoxyphenyl)-1-(4-methylphenyl)sulfonylimidazole
SMILESCOc1c(Cl)cc(-c2nccn2S(=O)(=O)c2ccc(C)cc2)cc1Cl
InChIInChI=1S/C17H14Cl2N2O3S/c1-11-3-5-13(6-4-11)25(22,23)21-8-7-20-17(21)12-9-14(18)16(24-2)15(19)10-12/h3-10H,1-2H3
InChIKeyZJGFLWPCURJLEC-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.41
Rot. Bonds4

About 2-(3,5-dichloro-4-methoxyphenyl)-1-(4-methylphenyl)sulfonylimidazole

2-(3,5-dichloro-4-methoxyphenyl)-1-(4-methylphenyl)sulfonylimidazole (PubChem CID 110532647) has the molecular formula C17H14Cl2N2O3S and a molecular weight of 397.28 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-methoxyphenyl)-1-(4-methylphenyl)sulfonylimidazole.

Molecular Properties

Compound Name2-(3,5-dichloro-4-methoxyphenyl)-1-(4-methylphenyl)sulfonylimidazole
PubChem CID110532647
Molecular FormulaC17H14Cl2N2O3S
Molecular Weight397.28 g/mol
Exact Mass396.01
IUPAC Name2-(3,5-dichloro-4-methoxyphenyl)-1-(4-methylphenyl)sulfonylimidazole
SMILESCOc1c(Cl)cc(-c2nccn2S(=O)(=O)c2ccc(C)cc2)cc1Cl
InChIInChI=1S/C17H14Cl2N2O3S/c1-11-3-5-13(6-4-11)25(22,23)21-8-7-20-17(21)12-9-14(18)16(24-2)15(19)10-12/h3-10H,1-2H3
InChIKeyZJGFLWPCURJLEC-UHFFFAOYSA-N
XLogP4.41
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylimidazole
CID 110537991
1-(benzenesulfonyl)-2-[3,5-dichloro-4-(2-methylpropoxy)phenyl]imidazole
CID 110531048
2-bromo-4-[1-(4-methylphenyl)sulfonylimidazol-2-yl]phenol
CID 136781757
1-(benzenesulfonyl)-2-(3-methylphenyl)imidazole
CID 110538672
2-(3,5-dichloro-4-propan-2-yloxyphenyl)-1-methylsulfonylimidazole
CID 110535930
2-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-1-(4-methylphenyl)sulfonylimidazole
CID 110530000
1-(benzenesulfonyl)-2-[4-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]imidazole
CID 110529999
2-(3-chloro-4,5-diethoxyphenyl)-1-methylsulfonylimidazole
CID 110536202
4-chloro-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 90226236
1-(benzenesulfonyl)-2-(4-ethoxyphenyl)imidazole
CID 110537183
1-(benzenesulfonyl)-2-(4-propan-2-yloxyphenyl)imidazole
CID 110536342
2-[3-methoxy-4-[(4-methylphenyl)methoxy]-5-nitrophenyl]-1-methylsulfonylimidazole
CID 110531420

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-4-methoxyphenyl)-1-(4-methylphenyl)sulfonylimidazole?
The IUPAC name of 2-(3,5-dichloro-4-methoxyphenyl)-1-(4-methylphenyl)sulfonylimidazole (CID 110532647) is 2-(3,5-dichloro-4-methoxyphenyl)-1-(4-methylphenyl)sulfonylimidazole.
What is the SMILES notation for 2-(3,5-dichloro-4-methoxyphenyl)-1-(4-methylphenyl)sulfonylimidazole?
The canonical SMILES for 2-(3,5-dichloro-4-methoxyphenyl)-1-(4-methylphenyl)sulfonylimidazole is COc1c(Cl)cc(-c2nccn2S(=O)(=O)c2ccc(C)cc2)cc1Cl.
What is the InChIKey of 2-(3,5-dichloro-4-methoxyphenyl)-1-(4-methylphenyl)sulfonylimidazole?
The InChIKey is ZJGFLWPCURJLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O3S/c1-11-3-5-13(6-4-11)25(22,23)21-8-7-20-17(21)12-9-14(18)16(24-2)15(19)10-12/h3-10H,1-2H3.
What are the key properties of 2-(3,5-dichloro-4-methoxyphenyl)-1-(4-methylphenyl)sulfonylimidazole?
2-(3,5-dichloro-4-methoxyphenyl)-1-(4-methylphenyl)sulfonylimidazole has a molecular weight of 397.28 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-4-methoxyphenyl)-1-(4-methylphenyl)sulfonylimidazole is sourced from PubChem (CID 110532647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).