4-methyl-3-pyridin-2-ylsulfonylthiophene-2-carbaldehyde

C11H9NO3S2 — CID 87563604

IUPAC4-methyl-3-pyridin-2-ylsulfonylthiophene-2-carbaldehyde
SMILESCc1csc(C=O)c1S(=O)(=O)c1ccccn1
InChIInChI=1S/C11H9NO3S2/c1-8-7-16-9(6-13)11(8)17(14,15)10-4-2-3-5-12-10/h2-7H,1H3
InChIKeyLPHPJJDCXVMFNI-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.10
Rot. Bonds3

About 4-methyl-3-pyridin-2-ylsulfonylthiophene-2-carbaldehyde

4-methyl-3-pyridin-2-ylsulfonylthiophene-2-carbaldehyde (PubChem CID 87563604) has the molecular formula C11H9NO3S2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-methyl-3-pyridin-2-ylsulfonylthiophene-2-carbaldehyde.

Molecular Properties

Compound Name4-methyl-3-pyridin-2-ylsulfonylthiophene-2-carbaldehyde
PubChem CID87563604
Molecular FormulaC11H9NO3S2
Molecular Weight267.33 g/mol
Exact Mass267.00
IUPAC Name4-methyl-3-pyridin-2-ylsulfonylthiophene-2-carbaldehyde
SMILESCc1csc(C=O)c1S(=O)(=O)c1ccccn1
InChIInChI=1S/C11H9NO3S2/c1-8-7-16-9(6-13)11(8)17(14,15)10-4-2-3-5-12-10/h2-7H,1H3
InChIKeyLPHPJJDCXVMFNI-UHFFFAOYSA-N
XLogP2.10
TPSA64.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.10
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

2-(tribromomethylsulfonyl)pyridine
CID 159318212
2-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenyl)acetaldehyde
CID 87523505
4-methyl-3-(1-pyridin-2-ylethylsulfamoyl)thiophene-2-carboxylic acid
CID 102748027
2-methylsulfanyl-3-pyridin-2-ylsulfonyl-1H-indole
CID 142945825
7-methyl-1-pyridin-2-ylsulfonylindole-3-carbaldehyde
CID 71764561
5-(benzenesulfonyl)-4-benzoyl-3-pyridin-2-ylsulfonylpyridine-2-carbaldehyde
CID 173158227
2-(pyridin-2-ylsulfonylmethylsulfonyl)pyridine
CID 139827432
CID 175476137
CID 175476137
barium(2+);bis(pyridine-2-sulfonate)
CID 154925532
2-pyridin-2-ylsulfonyl-1,3-oxazole
CID 175524122
2-methylpropane;pyridine-2-sulfonic acid
CID 174713168
2-(aminomethyl)-N,4-dimethyl-N-(2-pyridin-2-ylethyl)thiophene-3-sulfonamide
CID 102751202

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-pyridin-2-ylsulfonylthiophene-2-carbaldehyde?
The IUPAC name of 4-methyl-3-pyridin-2-ylsulfonylthiophene-2-carbaldehyde (CID 87563604) is 4-methyl-3-pyridin-2-ylsulfonylthiophene-2-carbaldehyde.
What is the SMILES notation for 4-methyl-3-pyridin-2-ylsulfonylthiophene-2-carbaldehyde?
The canonical SMILES for 4-methyl-3-pyridin-2-ylsulfonylthiophene-2-carbaldehyde is Cc1csc(C=O)c1S(=O)(=O)c1ccccn1.
What is the InChIKey of 4-methyl-3-pyridin-2-ylsulfonylthiophene-2-carbaldehyde?
The InChIKey is LPHPJJDCXVMFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3S2/c1-8-7-16-9(6-13)11(8)17(14,15)10-4-2-3-5-12-10/h2-7H,1H3.
What are the key properties of 4-methyl-3-pyridin-2-ylsulfonylthiophene-2-carbaldehyde?
4-methyl-3-pyridin-2-ylsulfonylthiophene-2-carbaldehyde has a molecular weight of 267.33 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-pyridin-2-ylsulfonylthiophene-2-carbaldehyde is sourced from PubChem (CID 87563604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).