2-phenyl-1-thiophen-2-ylsulfonylimidazole-4-carbaldehyde

C14H10N2O3S2 — CID 23660681

IUPAC2-phenyl-1-thiophen-2-ylsulfonylimidazole-4-carbaldehyde
SMILESO=Cc1cn(S(=O)(=O)c2cccs2)c(-c2ccccc2)n1
InChIInChI=1S/C14H10N2O3S2/c17-10-12-9-16(21(18,19)13-7-4-8-20-13)14(15-12)11-5-2-1-3-6-11/h1-10H
InChIKeyVKMJZSFBSUPQOM-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.66
Rot. Bonds4

About 2-phenyl-1-thiophen-2-ylsulfonylimidazole-4-carbaldehyde

2-phenyl-1-thiophen-2-ylsulfonylimidazole-4-carbaldehyde (PubChem CID 23660681) has the molecular formula C14H10N2O3S2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-phenyl-1-thiophen-2-ylsulfonylimidazole-4-carbaldehyde.

Molecular Properties

Compound Name2-phenyl-1-thiophen-2-ylsulfonylimidazole-4-carbaldehyde
PubChem CID23660681
Molecular FormulaC14H10N2O3S2
Molecular Weight318.38 g/mol
Exact Mass318.01
IUPAC Name2-phenyl-1-thiophen-2-ylsulfonylimidazole-4-carbaldehyde
SMILESO=Cc1cn(S(=O)(=O)c2cccs2)c(-c2ccccc2)n1
InChIInChI=1S/C14H10N2O3S2/c17-10-12-9-16(21(18,19)13-7-4-8-20-13)14(15-12)11-5-2-1-3-6-11/h1-10H
InChIKeyVKMJZSFBSUPQOM-UHFFFAOYSA-N
XLogP2.66
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-thiophen-2-ylsulfonylimidazole-4-carbaldehyde?
The IUPAC name of 2-phenyl-1-thiophen-2-ylsulfonylimidazole-4-carbaldehyde (CID 23660681) is 2-phenyl-1-thiophen-2-ylsulfonylimidazole-4-carbaldehyde.
What is the SMILES notation for 2-phenyl-1-thiophen-2-ylsulfonylimidazole-4-carbaldehyde?
The canonical SMILES for 2-phenyl-1-thiophen-2-ylsulfonylimidazole-4-carbaldehyde is O=Cc1cn(S(=O)(=O)c2cccs2)c(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-1-thiophen-2-ylsulfonylimidazole-4-carbaldehyde?
The InChIKey is VKMJZSFBSUPQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3S2/c17-10-12-9-16(21(18,19)13-7-4-8-20-13)14(15-12)11-5-2-1-3-6-11/h1-10H.
What are the key properties of 2-phenyl-1-thiophen-2-ylsulfonylimidazole-4-carbaldehyde?
2-phenyl-1-thiophen-2-ylsulfonylimidazole-4-carbaldehyde has a molecular weight of 318.38 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-thiophen-2-ylsulfonylimidazole-4-carbaldehyde is sourced from PubChem (CID 23660681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).