1-(5-chloro-2-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole

C13H15ClN2O3S — CID 786051

IUPAC1-(5-chloro-2-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole
SMILESCOc1ccc(Cl)cc1S(=O)(=O)n1ccnc1C(C)C
InChIInChI=1S/C13H15ClN2O3S/c1-9(2)13-15-6-7-16(13)20(17,18)12-8-10(14)4-5-11(12)19-3/h4-9H,1-3H3
InChIKeyNCHZLTMLWIYKFH-UHFFFAOYSA-N
MW314.79 g/mol
LogP2.91
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole

1-(5-chloro-2-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole (PubChem CID 786051) has the molecular formula C13H15ClN2O3S and a molecular weight of 314.79 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole
PubChem CID786051
Molecular FormulaC13H15ClN2O3S
Molecular Weight314.79 g/mol
Exact Mass314.05
IUPAC Name1-(5-chloro-2-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole
SMILESCOc1ccc(Cl)cc1S(=O)(=O)n1ccnc1C(C)C
InChIInChI=1S/C13H15ClN2O3S/c1-9(2)13-15-6-7-16(13)20(17,18)12-8-10(14)4-5-11(12)19-3/h4-9H,1-3H3
InChIKeyNCHZLTMLWIYKFH-UHFFFAOYSA-N
XLogP2.91
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzenesulfonamide
CID 2990150
1-(2,5-Dimethoxyphenyl)sulfonyl-2-ethylimidazole
CID 794493
1-(2,5-Dimethoxy-benzenesulfonyl)-2-isopropyl-1H-imidazole
CID 794495
1-(5-Chloro-2-methoxyphenyl)sulfonyl-2-methyl-5-nitroimidazole
CID 686064
1-(5-Chloro-2-methoxyphenyl)sulfonylimidazole
CID 775798
3-Chloro-N-(3-imidazol-1-yl-propyl)-4-methoxy-benzenesulfonamide
CID 6460510
1-(2,5-Dimethoxyphenyl)sulfonyl-2-methylimidazole
CID 742882
1-(2,5-Dimethoxyphenyl)sulfonyl-2-propylimidazole
CID 755299
1-(5-Chloro-2-methoxy-4-methyl-benzenesulfonyl)-2-methyl-1H-imidazole
CID 850091
1-(4-Chloro-2,5-dimethoxyphenyl)sulfonyl-2-ethylimidazole
CID 850092
1-(5-Chloro-2-methoxy-4-methyl-benzenesulfonyl)-4-methyl-1H-imidazole
CID 850094
1-(4-Chloro-3-ethoxyphenyl)sulfonylimidazole
CID 1258797

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole (CID 786051) is 1-(5-chloro-2-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole is COc1ccc(Cl)cc1S(=O)(=O)n1ccnc1C(C)C.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole?
The InChIKey is NCHZLTMLWIYKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3S/c1-9(2)13-15-6-7-16(13)20(17,18)12-8-10(14)4-5-11(12)19-3/h4-9H,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole?
1-(5-chloro-2-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole has a molecular weight of 314.79 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole is sourced from PubChem (CID 786051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).