3-(4-methylphenyl)sulfonylimidazole-4-carbaldehyde

C11H10N2O3S — CID 125483195

IUPAC3-(4-methylphenyl)sulfonylimidazole-4-carbaldehyde
SMILESCc1ccc(S(=O)(=O)n2cncc2C=O)cc1
InChIInChI=1S/C11H10N2O3S/c1-9-2-4-11(5-3-9)17(15,16)13-8-12-6-10(13)7-14/h2-8H,1H3
InChIKeyQPZNXXYXHICBEP-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.24
Rot. Bonds3

About 3-(4-methylphenyl)sulfonylimidazole-4-carbaldehyde

3-(4-methylphenyl)sulfonylimidazole-4-carbaldehyde (PubChem CID 125483195) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfonylimidazole-4-carbaldehyde.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfonylimidazole-4-carbaldehyde
PubChem CID125483195
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name3-(4-methylphenyl)sulfonylimidazole-4-carbaldehyde
SMILESCc1ccc(S(=O)(=O)n2cncc2C=O)cc1
InChIInChI=1S/C11H10N2O3S/c1-9-2-4-11(5-3-9)17(15,16)13-8-12-6-10(13)7-14/h2-8H,1H3
InChIKeyQPZNXXYXHICBEP-UHFFFAOYSA-N
XLogP1.24
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-amino-3-[3-(4-methylphenyl)sulfonylimidazol-4-yl]propanoate
CID 57362515
(2S)-2-amino-3-[3-(4-methylphenyl)sulfonylimidazol-4-yl]propanoic acid
CID 174438155
5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carbaldehyde
CID 175864006
3-bromo-1-(4-methylphenyl)sulfonylpyrrole-2-carbaldehyde
CID 15541239
(2Z,5Z,8Z)-1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonine
CID 12599640
2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylimidazole
CID 110537991
3-(benzenesulfonyl)imidazol-4-ol
CID 57236150
2-methyl-1-(4-methylphenyl)sulfonylpyrrole
CID 839845
2,3-dimethyl-1-(4-methylphenyl)sulfonylpyrrole
CID 102326520
azane;1-(4-methylphenyl)sulfonylimidazole
CID 174813676
1-(4-methylphenyl)sulfonylindole-4-carbaldehyde
CID 13115093
2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]acetaldehyde
CID 89416848

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfonylimidazole-4-carbaldehyde?
The IUPAC name of 3-(4-methylphenyl)sulfonylimidazole-4-carbaldehyde (CID 125483195) is 3-(4-methylphenyl)sulfonylimidazole-4-carbaldehyde.
What is the SMILES notation for 3-(4-methylphenyl)sulfonylimidazole-4-carbaldehyde?
The canonical SMILES for 3-(4-methylphenyl)sulfonylimidazole-4-carbaldehyde is Cc1ccc(S(=O)(=O)n2cncc2C=O)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfonylimidazole-4-carbaldehyde?
The InChIKey is QPZNXXYXHICBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c1-9-2-4-11(5-3-9)17(15,16)13-8-12-6-10(13)7-14/h2-8H,1H3.
What are the key properties of 3-(4-methylphenyl)sulfonylimidazole-4-carbaldehyde?
3-(4-methylphenyl)sulfonylimidazole-4-carbaldehyde has a molecular weight of 250.28 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfonylimidazole-4-carbaldehyde is sourced from PubChem (CID 125483195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).