2-(3,5-dichloro-4-propan-2-yloxyphenyl)-1-methylsulfonylimidazole

C13H14Cl2N2O3S — CID 110535930

IUPAC2-(3,5-dichloro-4-propan-2-yloxyphenyl)-1-methylsulfonylimidazole
SMILESCC(C)Oc1c(Cl)cc(-c2nccn2S(C)(=O)=O)cc1Cl
InChIInChI=1S/C13H14Cl2N2O3S/c1-8(2)20-12-10(14)6-9(7-11(12)15)13-16-4-5-17(13)21(3,18)19/h4-8H,1-3H3
InChIKeyWHLZIHGLOUDQJW-UHFFFAOYSA-N
MW349.24 g/mol
LogP3.45
Rot. Bonds4

About 2-(3,5-dichloro-4-propan-2-yloxyphenyl)-1-methylsulfonylimidazole

2-(3,5-dichloro-4-propan-2-yloxyphenyl)-1-methylsulfonylimidazole (PubChem CID 110535930) has the molecular formula C13H14Cl2N2O3S and a molecular weight of 349.24 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-propan-2-yloxyphenyl)-1-methylsulfonylimidazole.

Molecular Properties

Compound Name2-(3,5-dichloro-4-propan-2-yloxyphenyl)-1-methylsulfonylimidazole
PubChem CID110535930
Molecular FormulaC13H14Cl2N2O3S
Molecular Weight349.24 g/mol
Exact Mass348.01
IUPAC Name2-(3,5-dichloro-4-propan-2-yloxyphenyl)-1-methylsulfonylimidazole
SMILESCC(C)Oc1c(Cl)cc(-c2nccn2S(C)(=O)=O)cc1Cl
InChIInChI=1S/C13H14Cl2N2O3S/c1-8(2)20-12-10(14)6-9(7-11(12)15)13-16-4-5-17(13)21(3,18)19/h4-8H,1-3H3
InChIKeyWHLZIHGLOUDQJW-UHFFFAOYSA-N
XLogP3.45
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.24
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-4,5-diethoxyphenyl)-1-methylsulfonylimidazole
CID 110536202
1-(benzenesulfonyl)-2-[3,5-dichloro-4-(2-methylpropoxy)phenyl]imidazole
CID 110531048
2-(3,5-dichloro-4-methoxyphenyl)-1-(4-methylphenyl)sulfonylimidazole
CID 110532647
1-(benzenesulfonyl)-2-(4-propan-2-yloxyphenyl)imidazole
CID 110536342
2-(3,5-dibromo-2-methoxyphenyl)-1-methylsulfonylimidazole
CID 110531880
4-(1-methylsulfonylimidazol-2-yl)benzoic acid
CID 110539899
N,N-diethyl-4-(1-methylsulfonylimidazol-2-yl)aniline
CID 110538941
2-[3-methoxy-4-[(4-methylphenyl)methoxy]-5-nitrophenyl]-1-methylsulfonylimidazole
CID 110531420
1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole
CID 7574686
3,5-dichloro-4-[2-(2-methylimidazol-1-yl)ethoxy]benzenesulfonamide
CID 82917892
4-(3,5-dichloro-4-propan-2-yloxyphenyl)-4-oxobutanoic acid
CID 82550795
(3,5-dichloro-4-propan-2-yloxyphenyl)methanol;methane
CID 158865667

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-4-propan-2-yloxyphenyl)-1-methylsulfonylimidazole?
The IUPAC name of 2-(3,5-dichloro-4-propan-2-yloxyphenyl)-1-methylsulfonylimidazole (CID 110535930) is 2-(3,5-dichloro-4-propan-2-yloxyphenyl)-1-methylsulfonylimidazole.
What is the SMILES notation for 2-(3,5-dichloro-4-propan-2-yloxyphenyl)-1-methylsulfonylimidazole?
The canonical SMILES for 2-(3,5-dichloro-4-propan-2-yloxyphenyl)-1-methylsulfonylimidazole is CC(C)Oc1c(Cl)cc(-c2nccn2S(C)(=O)=O)cc1Cl.
What is the InChIKey of 2-(3,5-dichloro-4-propan-2-yloxyphenyl)-1-methylsulfonylimidazole?
The InChIKey is WHLZIHGLOUDQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O3S/c1-8(2)20-12-10(14)6-9(7-11(12)15)13-16-4-5-17(13)21(3,18)19/h4-8H,1-3H3.
What are the key properties of 2-(3,5-dichloro-4-propan-2-yloxyphenyl)-1-methylsulfonylimidazole?
2-(3,5-dichloro-4-propan-2-yloxyphenyl)-1-methylsulfonylimidazole has a molecular weight of 349.24 g/mol, XLogP of 3.45, 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-propan-2-yloxyphenyl)-1-methylsulfonylimidazole is sourced from PubChem (CID 110535930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).