2-(3-chloro-4,5-diethoxyphenyl)-1-methylsulfonylimidazole

C14H17ClN2O4S — CID 110536202

IUPAC2-(3-chloro-4,5-diethoxyphenyl)-1-methylsulfonylimidazole
SMILESCCOc1cc(-c2nccn2S(C)(=O)=O)cc(Cl)c1OCC
InChIInChI=1S/C14H17ClN2O4S/c1-4-20-12-9-10(8-11(15)13(12)21-5-2)14-16-6-7-17(14)22(3,18)19/h6-9H,4-5H2,1-3H3
InChIKeyYZEPIMLKXBTBNU-UHFFFAOYSA-N
MW344.82 g/mol
LogP2.81
Rot. Bonds6

About 2-(3-chloro-4,5-diethoxyphenyl)-1-methylsulfonylimidazole

2-(3-chloro-4,5-diethoxyphenyl)-1-methylsulfonylimidazole (PubChem CID 110536202) has the molecular formula C14H17ClN2O4S and a molecular weight of 344.82 g/mol. Its IUPAC name is 2-(3-chloro-4,5-diethoxyphenyl)-1-methylsulfonylimidazole.

Molecular Properties

Compound Name2-(3-chloro-4,5-diethoxyphenyl)-1-methylsulfonylimidazole
PubChem CID110536202
Molecular FormulaC14H17ClN2O4S
Molecular Weight344.82 g/mol
Exact Mass344.06
IUPAC Name2-(3-chloro-4,5-diethoxyphenyl)-1-methylsulfonylimidazole
SMILESCCOc1cc(-c2nccn2S(C)(=O)=O)cc(Cl)c1OCC
InChIInChI=1S/C14H17ClN2O4S/c1-4-20-12-9-10(8-11(15)13(12)21-5-2)14-16-6-7-17(14)22(3,18)19/h6-9H,4-5H2,1-3H3
InChIKeyYZEPIMLKXBTBNU-UHFFFAOYSA-N
XLogP2.81
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dichloro-4-propan-2-yloxyphenyl)-1-methylsulfonylimidazole
CID 110535930
2-(3-chloro-4,5-diethoxyphenyl)-4-methyl-1,3-thiazole-5-sulfonyl chloride
CID 20984453
2-(3,5-dichloro-4-methoxyphenyl)-1-(4-methylphenyl)sulfonylimidazole
CID 110532647
1-(benzenesulfonyl)-2-[3,5-dichloro-4-(2-methylpropoxy)phenyl]imidazole
CID 110531048
3-chloro-4,5-diethoxybenzoate
CID 7326781
2-(4-ethoxy-3,5-dimethoxyphenyl)-1-methylimidazole
CID 110539968
3-chloro-4,5-diethoxyaniline
CID 13335752
N,N-diethyl-4-(1-methylsulfonylimidazol-2-yl)aniline
CID 110538941
2-[3-methoxy-4-[(4-methylphenyl)methoxy]-5-nitrophenyl]-1-methylsulfonylimidazole
CID 110531420
3-chloro-5-ethoxy-N-[3-(1-methylimidazol-2-yl)phenyl]-4-propoxybenzamide
CID 60557234
1-(2-ethoxy-4,5-dimethylphenyl)sulfonyl-2-methylimidazole
CID 11841653
2-chloro-4-(1-ethylimidazol-2-yl)-6-methoxyphenol
CID 136822380

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4,5-diethoxyphenyl)-1-methylsulfonylimidazole?
The IUPAC name of 2-(3-chloro-4,5-diethoxyphenyl)-1-methylsulfonylimidazole (CID 110536202) is 2-(3-chloro-4,5-diethoxyphenyl)-1-methylsulfonylimidazole.
What is the SMILES notation for 2-(3-chloro-4,5-diethoxyphenyl)-1-methylsulfonylimidazole?
The canonical SMILES for 2-(3-chloro-4,5-diethoxyphenyl)-1-methylsulfonylimidazole is CCOc1cc(-c2nccn2S(C)(=O)=O)cc(Cl)c1OCC.
What is the InChIKey of 2-(3-chloro-4,5-diethoxyphenyl)-1-methylsulfonylimidazole?
The InChIKey is YZEPIMLKXBTBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4S/c1-4-20-12-9-10(8-11(15)13(12)21-5-2)14-16-6-7-17(14)22(3,18)19/h6-9H,4-5H2,1-3H3.
What are the key properties of 2-(3-chloro-4,5-diethoxyphenyl)-1-methylsulfonylimidazole?
2-(3-chloro-4,5-diethoxyphenyl)-1-methylsulfonylimidazole has a molecular weight of 344.82 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4,5-diethoxyphenyl)-1-methylsulfonylimidazole is sourced from PubChem (CID 110536202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).