1-(2,5-dimethoxyphenyl)sulfonyl-2-propan-2-ylimidazole

C14H18N2O4S — CID 794495

IUPAC1-(2,5-dimethoxyphenyl)sulfonyl-2-propan-2-ylimidazole
SMILESCOc1ccc(OC)c(S(=O)(=O)n2ccnc2C(C)C)c1
InChIInChI=1S/C14H18N2O4S/c1-10(2)14-15-7-8-16(14)21(17,18)13-9-11(19-3)5-6-12(13)20-4/h5-10H,1-4H3
InChIKeyRNLCKHQLEBYETB-UHFFFAOYSA-N
MW310.38 g/mol
LogP2.26
Rot. Bonds5

About 1-(2,5-dimethoxyphenyl)sulfonyl-2-propan-2-ylimidazole

1-(2,5-dimethoxyphenyl)sulfonyl-2-propan-2-ylimidazole (PubChem CID 794495) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonyl-2-propan-2-ylimidazole.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonyl-2-propan-2-ylimidazole
PubChem CID794495
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonyl-2-propan-2-ylimidazole
SMILESCOc1ccc(OC)c(S(=O)(=O)n2ccnc2C(C)C)c1
InChIInChI=1S/C14H18N2O4S/c1-10(2)14-15-7-8-16(14)21(17,18)13-9-11(19-3)5-6-12(13)20-4/h5-10H,1-4H3
InChIKeyRNLCKHQLEBYETB-UHFFFAOYSA-N
XLogP2.26
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(1H-imidazol-1-yl)propyl]-2,5-dimethoxybenzene-1-sulfonamide
CID 2992109
1-[(2,5-Diethoxyphenyl)sulfonyl]-2-ethyl-4-methylimidazole
CID 741693
1-(2,5-Dimethoxyphenyl)sulfonyl-2-ethylimidazole
CID 794493
1-[(4-Methoxyphenyl)sulfonyl]-4-methylimidazole
CID 804716
4-Fluoro-N-(3-imidazol-1-yl-propyl)-3-methoxy-benzenesulfonamide
CID 6493482
1-[(2,5-diethoxyphenyl)sulfonyl]-2-methyl-1H-imidazole
CID 686069
5-fluoro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzenesulfonamide
CID 2989910
1-[(5-bromo-2-methoxyphenyl)sulfonyl]-2-ethyl-1H-imidazole
CID 699054
1-(2,5-Dimethoxyphenyl)sulfonyl-2-methylimidazole
CID 742882
1-(2,5-Dimethoxyphenyl)sulfonyl-2-propylimidazole
CID 755299
1-[(5-bromo-2-methoxyphenyl)sulfonyl]-2-methyl-1H-imidazole
CID 775774
1-(5-Chloro-2-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole
CID 786051

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-2-propan-2-ylimidazole?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-2-propan-2-ylimidazole (CID 794495) is 1-(2,5-dimethoxyphenyl)sulfonyl-2-propan-2-ylimidazole.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonyl-2-propan-2-ylimidazole?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonyl-2-propan-2-ylimidazole is COc1ccc(OC)c(S(=O)(=O)n2ccnc2C(C)C)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonyl-2-propan-2-ylimidazole?
The InChIKey is RNLCKHQLEBYETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-10(2)14-15-7-8-16(14)21(17,18)13-9-11(19-3)5-6-12(13)20-4/h5-10H,1-4H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonyl-2-propan-2-ylimidazole?
1-(2,5-dimethoxyphenyl)sulfonyl-2-propan-2-ylimidazole has a molecular weight of 310.38 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)sulfonyl-2-propan-2-ylimidazole is sourced from PubChem (CID 794495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).