1-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2-propan-2-ylimidazole

C16H21ClN2O3S — CID 50876291

IUPAC1-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2-propan-2-ylimidazole
SMILESCCCOc1cc(C)c(Cl)cc1S(=O)(=O)n1ccnc1C(C)C
InChIInChI=1S/C16H21ClN2O3S/c1-5-8-22-14-9-12(4)13(17)10-15(14)23(20,21)19-7-6-18-16(19)11(2)3/h6-7,9-11H,5,8H2,1-4H3
InChIKeyFBZYBCCQZQIXCZ-UHFFFAOYSA-N
MW356.88 g/mol
LogP3.99
Rot. Bonds6

About 1-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2-propan-2-ylimidazole

1-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2-propan-2-ylimidazole (PubChem CID 50876291) has the molecular formula C16H21ClN2O3S and a molecular weight of 356.88 g/mol. Its IUPAC name is 1-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2-propan-2-ylimidazole.

Molecular Properties

Compound Name1-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2-propan-2-ylimidazole
PubChem CID50876291
Molecular FormulaC16H21ClN2O3S
Molecular Weight356.88 g/mol
Exact Mass356.10
IUPAC Name1-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2-propan-2-ylimidazole
SMILESCCCOc1cc(C)c(Cl)cc1S(=O)(=O)n1ccnc1C(C)C
InChIInChI=1S/C16H21ClN2O3S/c1-5-8-22-14-9-12(4)13(17)10-15(14)23(20,21)19-7-6-18-16(19)11(2)3/h6-7,9-11H,5,8H2,1-4H3
InChIKeyFBZYBCCQZQIXCZ-UHFFFAOYSA-N
XLogP3.99
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.88
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2-propan-2-ylimidazole?
The IUPAC name of 1-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2-propan-2-ylimidazole (CID 50876291) is 1-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2-propan-2-ylimidazole.
What is the SMILES notation for 1-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2-propan-2-ylimidazole?
The canonical SMILES for 1-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2-propan-2-ylimidazole is CCCOc1cc(C)c(Cl)cc1S(=O)(=O)n1ccnc1C(C)C.
What is the InChIKey of 1-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2-propan-2-ylimidazole?
The InChIKey is FBZYBCCQZQIXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3S/c1-5-8-22-14-9-12(4)13(17)10-15(14)23(20,21)19-7-6-18-16(19)11(2)3/h6-7,9-11H,5,8H2,1-4H3.
What are the key properties of 1-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2-propan-2-ylimidazole?
1-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2-propan-2-ylimidazole has a molecular weight of 356.88 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2-propan-2-ylimidazole is sourced from PubChem (CID 50876291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).