4-ethenylbenzenesulfonic acid;1-methyl-3-propyl-2H-imidazole

C15H22N2O3S — CID 175397948

IUPAC4-ethenylbenzenesulfonic acid;1-methyl-3-propyl-2H-imidazole
SMILESC=Cc1ccc(S(=O)(=O)O)cc1.CCCN1C=CN(C)C1
InChIInChI=1S/C8H8O3S.C7H14N2/c1-2-7-3-5-8(6-4-7)12(9,10)11;1-3-4-9-6-5-8(2)7-9/h2-6H,1H2,(H,9,10,11);5-6H,3-4,7H2,1-2H3
InChIKeyLQSXPDNGZVWXPY-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.65
Rot. Bonds4

About 4-ethenylbenzenesulfonic acid;1-methyl-3-propyl-2H-imidazole

4-ethenylbenzenesulfonic acid;1-methyl-3-propyl-2H-imidazole (PubChem CID 175397948) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 4-ethenylbenzenesulfonic acid;1-methyl-3-propyl-2H-imidazole.

Molecular Properties

Compound Name4-ethenylbenzenesulfonic acid;1-methyl-3-propyl-2H-imidazole
PubChem CID175397948
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name4-ethenylbenzenesulfonic acid;1-methyl-3-propyl-2H-imidazole
SMILESC=Cc1ccc(S(=O)(=O)O)cc1.CCCN1C=CN(C)C1
InChIInChI=1S/C8H8O3S.C7H14N2/c1-2-7-3-5-8(6-4-7)12(9,10)11;1-3-4-9-6-5-8(2)7-9/h2-6H,1H2,(H,9,10,11);5-6H,3-4,7H2,1-2H3
InChIKeyLQSXPDNGZVWXPY-UHFFFAOYSA-N
XLogP2.65
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-ethenylbenzenesulfonic acid;1-ethenyl-3-hexadecyl-2H-imidazole
CID 175397953
1-butyl-3-methyl-2H-imidazole;4-methylbenzenesulfonic acid
CID 173078348
1-decyl-3-methyl-2H-imidazole;4-methylbenzenesulfonic acid
CID 174906160
4-ethenylbenzenesulfonic acid;methanol
CID 172742090
1-[(4-ethenylphenyl)methyl]-3-methyl-2H-imidazole
CID 23106819
4-ethenylbenzenesulfonic acid;[1-(4-methoxyphenoxy)-3-(3-methyl-2H-imidazol-1-yl)propan-2-yl] 2-methylprop-2-enoate
CID 174057909
1-methyl-3-propyl-2H-imidazole;hydroiodide
CID 67338438
N,N-dioctyloctan-1-amine;4-ethenylbenzenesulfonic acid
CID 146593126
iodic acid;1-methyl-3-propyl-2H-imidazole
CID 159990491
4-ethenylbenzenesulfonamide;4-ethenylbenzenesulfonic acid
CID 88633665
4-ethenylbenzenesulfonic acid;1-ethylimidazole
CID 71420556
1-hexadecyl-3-methyl-2H-imidazole;methanesulfonic acid
CID 174775382

Frequently Asked Questions

What is the IUPAC name of 4-ethenylbenzenesulfonic acid;1-methyl-3-propyl-2H-imidazole?
The IUPAC name of 4-ethenylbenzenesulfonic acid;1-methyl-3-propyl-2H-imidazole (CID 175397948) is 4-ethenylbenzenesulfonic acid;1-methyl-3-propyl-2H-imidazole.
What is the SMILES notation for 4-ethenylbenzenesulfonic acid;1-methyl-3-propyl-2H-imidazole?
The canonical SMILES for 4-ethenylbenzenesulfonic acid;1-methyl-3-propyl-2H-imidazole is C=Cc1ccc(S(=O)(=O)O)cc1.CCCN1C=CN(C)C1.
What is the InChIKey of 4-ethenylbenzenesulfonic acid;1-methyl-3-propyl-2H-imidazole?
The InChIKey is LQSXPDNGZVWXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3S.C7H14N2/c1-2-7-3-5-8(6-4-7)12(9,10)11;1-3-4-9-6-5-8(2)7-9/h2-6H,1H2,(H,9,10,11);5-6H,3-4,7H2,1-2H3.
What are the key properties of 4-ethenylbenzenesulfonic acid;1-methyl-3-propyl-2H-imidazole?
4-ethenylbenzenesulfonic acid;1-methyl-3-propyl-2H-imidazole has a molecular weight of 310.42 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylbenzenesulfonic acid;1-methyl-3-propyl-2H-imidazole is sourced from PubChem (CID 175397948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).