1-(5-chloro-2-methoxyphenyl)sulfonyl-2-ethylimidazole

C12H13ClN2O3S — CID 741691

IUPAC1-(5-chloro-2-methoxyphenyl)sulfonyl-2-ethylimidazole
SMILESCCc1nccn1S(=O)(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C12H13ClN2O3S/c1-3-12-14-6-7-15(12)19(16,17)11-8-9(13)4-5-10(11)18-2/h4-8H,3H2,1-2H3
InChIKeyGJWBPYTXNNHBGL-UHFFFAOYSA-N
MW300.77 g/mol
LogP2.34
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)sulfonyl-2-ethylimidazole

1-(5-chloro-2-methoxyphenyl)sulfonyl-2-ethylimidazole (PubChem CID 741691) has the molecular formula C12H13ClN2O3S and a molecular weight of 300.77 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)sulfonyl-2-ethylimidazole.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)sulfonyl-2-ethylimidazole
PubChem CID741691
Molecular FormulaC12H13ClN2O3S
Molecular Weight300.77 g/mol
Exact Mass300.03
IUPAC Name1-(5-chloro-2-methoxyphenyl)sulfonyl-2-ethylimidazole
SMILESCCc1nccn1S(=O)(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C12H13ClN2O3S/c1-3-12-14-6-7-15(12)19(16,17)11-8-9(13)4-5-10(11)18-2/h4-8H,3H2,1-2H3
InChIKeyGJWBPYTXNNHBGL-UHFFFAOYSA-N
XLogP2.34
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonyl-2-ethylimidazole?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonyl-2-ethylimidazole (CID 741691) is 1-(5-chloro-2-methoxyphenyl)sulfonyl-2-ethylimidazole.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)sulfonyl-2-ethylimidazole?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)sulfonyl-2-ethylimidazole is CCc1nccn1S(=O)(=O)c1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)sulfonyl-2-ethylimidazole?
The InChIKey is GJWBPYTXNNHBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3S/c1-3-12-14-6-7-15(12)19(16,17)11-8-9(13)4-5-10(11)18-2/h4-8H,3H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)sulfonyl-2-ethylimidazole?
1-(5-chloro-2-methoxyphenyl)sulfonyl-2-ethylimidazole has a molecular weight of 300.77 g/mol, XLogP of 2.34, 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-ethylimidazole is sourced from PubChem (CID 741691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).