1-methyl-3-(4-methylphenyl)sulfonyl-1,2-dihydroimidazol-1-ium chloride

C11H15ClN2O2S — CID 71357438

IUPAC1-methyl-3-(4-methylphenyl)sulfonyl-1,2-dihydroimidazol-1-ium chloride
SMILESCc1ccc(S(=O)(=O)N2C=C[NH+](C)C2)cc1.[Cl-]
InChIInChI=1S/C11H14N2O2S.ClH/c1-10-3-5-11(6-4-10)16(14,15)13-8-7-12(2)9-13;/h3-8H,9H2,1-2H3;1H
InChIKeyZBQPEFIDCWDXHT-UHFFFAOYSA-N
MW274.77 g/mol
LogP-3.05
Rot. Bonds2

About 1-methyl-3-(4-methylphenyl)sulfonyl-1,2-dihydroimidazol-1-ium chloride

1-methyl-3-(4-methylphenyl)sulfonyl-1,2-dihydroimidazol-1-ium chloride (PubChem CID 71357438) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is 1-methyl-3-(4-methylphenyl)sulfonyl-1,2-dihydroimidazol-1-ium chloride.

Molecular Properties

Compound Name1-methyl-3-(4-methylphenyl)sulfonyl-1,2-dihydroimidazol-1-ium chloride
PubChem CID71357438
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name1-methyl-3-(4-methylphenyl)sulfonyl-1,2-dihydroimidazol-1-ium chloride
SMILESCc1ccc(S(=O)(=O)N2C=C[NH+](C)C2)cc1.[Cl-]
InChIInChI=1S/C11H14N2O2S.ClH/c1-10-3-5-11(6-4-10)16(14,15)13-8-7-12(2)9-13;/h3-8H,9H2,1-2H3;1H
InChIKeyZBQPEFIDCWDXHT-UHFFFAOYSA-N
XLogP-3.05
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 5-3.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2Z,5Z,8Z)-1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonine
CID 12599640
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
1-(4-methylphenyl)sulfonyl-2H-pyrazine
CID 69191833
(8aR)-2-(4-methylphenyl)sulfonyl-1,3,4,5,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-5-ium
CID 11922540
1-[4-(4-methylphenyl)phenyl]sulfonylazepane
CID 852205
3,6,9-tris-(4-methylphenyl)sulfonyl-3,6,9-triazatetracyclo[6.1.0.02,4.05,7]nonane
CID 12599628
1,2,3-tris-(4-methylphenyl)sulfonyltriazonane
CID 19101087
(8Z)-1,6-bis-(4-methylphenyl)sulfonyl-2,3,4,5,7,10-hexahydro-1,6-diazecine
CID 102269003
1,4,6,9-tetrakis-(4-methylphenyl)sulfonyl-1,4,6,9-tetraza-5-silaspiro[4.4]nonane
CID 100926262
2,6-bis-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane
CID 44829122
1-(4-methylphenyl)sulfonylazetidine-2,4-dione
CID 82664020
1-(4-methylphenyl)sulfonyl-4-propan-2-ylpiperazin-4-ium
CID 4743157

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methylphenyl)sulfonyl-1,2-dihydroimidazol-1-ium chloride?
The IUPAC name of 1-methyl-3-(4-methylphenyl)sulfonyl-1,2-dihydroimidazol-1-ium chloride (CID 71357438) is 1-methyl-3-(4-methylphenyl)sulfonyl-1,2-dihydroimidazol-1-ium chloride.
What is the SMILES notation for 1-methyl-3-(4-methylphenyl)sulfonyl-1,2-dihydroimidazol-1-ium chloride?
The canonical SMILES for 1-methyl-3-(4-methylphenyl)sulfonyl-1,2-dihydroimidazol-1-ium chloride is Cc1ccc(S(=O)(=O)N2C=C[NH+](C)C2)cc1.[Cl-].
What is the InChIKey of 1-methyl-3-(4-methylphenyl)sulfonyl-1,2-dihydroimidazol-1-ium chloride?
The InChIKey is ZBQPEFIDCWDXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S.ClH/c1-10-3-5-11(6-4-10)16(14,15)13-8-7-12(2)9-13;/h3-8H,9H2,1-2H3;1H.
What are the key properties of 1-methyl-3-(4-methylphenyl)sulfonyl-1,2-dihydroimidazol-1-ium chloride?
1-methyl-3-(4-methylphenyl)sulfonyl-1,2-dihydroimidazol-1-ium chloride has a molecular weight of 274.77 g/mol, XLogP of -3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methylphenyl)sulfonyl-1,2-dihydroimidazol-1-ium chloride is sourced from PubChem (CID 71357438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).