1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylbenzimidazole

C16H15ClN2O3S — CID 1243561

IUPAC1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylbenzimidazole
SMILESCCOc1cc(C)c(Cl)cc1S(=O)(=O)n1cnc2ccccc21
InChIInChI=1S/C16H15ClN2O3S/c1-3-22-15-8-11(2)12(17)9-16(15)23(20,21)19-10-18-13-6-4-5-7-14(13)19/h4-10H,3H2,1-2H3
InChIKeyJESYMPMSOOWJOQ-UHFFFAOYSA-N
MW350.83 g/mol
LogP3.63
Rot. Bonds4

About 1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylbenzimidazole

1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylbenzimidazole (PubChem CID 1243561) has the molecular formula C16H15ClN2O3S and a molecular weight of 350.83 g/mol. Its IUPAC name is 1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylbenzimidazole.

Molecular Properties

Compound Name1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylbenzimidazole
PubChem CID1243561
Molecular FormulaC16H15ClN2O3S
Molecular Weight350.83 g/mol
Exact Mass350.05
IUPAC Name1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylbenzimidazole
SMILESCCOc1cc(C)c(Cl)cc1S(=O)(=O)n1cnc2ccccc21
InChIInChI=1S/C16H15ClN2O3S/c1-3-22-15-8-11(2)12(17)9-16(15)23(20,21)19-10-18-13-6-4-5-7-14(13)19/h4-10H,3H2,1-2H3
InChIKeyJESYMPMSOOWJOQ-UHFFFAOYSA-N
XLogP3.63
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Ethoxy-5-methylphenyl)sulfonylbenzimidazole
CID 850116
1-(2-Methoxy-5-methylphenyl)sulfonylbenzimidazole
CID 686062
1-(5-Chloro-2-methoxy-4-methyl-benzenesulfonyl)-1H-benzoimidazole
CID 1094945
1-(3-Chlorobenzenesulfonyl)-2-[(1E)-2-(4-ethoxyphenyl)ethenyl]-1H-1,3-benzodiazole
CID 15990861
1-(4-Methoxy-2-methyl-benzenesulfonyl)-1H-benzoimidazole
CID 778421
1-(5-Chloro-2-methoxyphenyl)sulfonylbenzimidazole
CID 741690
1-(5-Chloro-2-ethoxyphenyl)sulfonylbenzimidazole
CID 976936
1-(5-Chloro-2-ethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole
CID 1288960
1-((5-isopropyl-2-methoxy-4-methylphenyl)sulfonyl)-1H-benzo[d]imidazole
CID 4175330
5-Chloro-N-{2-[2-(4-fluorophenyl)-1H-1,3-benzodiazol-1-YL]ethyl}-2-methoxybenzene-1-sulfonamide
CID 53063236
1-(2-Methoxy-4-methylphenyl)sulfonyl-5,6-dimethylbenzimidazole
CID 706568
1-((2-methoxy-4,5-dimethylphenyl)sulfonyl)-1H-benzo[d]imidazole
CID 720736

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylbenzimidazole?
The IUPAC name of 1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylbenzimidazole (CID 1243561) is 1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylbenzimidazole.
What is the SMILES notation for 1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylbenzimidazole?
The canonical SMILES for 1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylbenzimidazole is CCOc1cc(C)c(Cl)cc1S(=O)(=O)n1cnc2ccccc21.
What is the InChIKey of 1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylbenzimidazole?
The InChIKey is JESYMPMSOOWJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3S/c1-3-22-15-8-11(2)12(17)9-16(15)23(20,21)19-10-18-13-6-4-5-7-14(13)19/h4-10H,3H2,1-2H3.
What are the key properties of 1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylbenzimidazole?
1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylbenzimidazole has a molecular weight of 350.83 g/mol, XLogP of 3.63, 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-ethoxy-4-methylphenyl)sulfonylbenzimidazole is sourced from PubChem (CID 1243561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).