2-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenyl)acetaldehyde

C16H17NO3S — CID 87523505

IUPAC2-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenyl)acetaldehyde
SMILESCc1cc(C)c(C(C=O)S(=O)(=O)c2ccccn2)c(C)c1
InChIInChI=1S/C16H17NO3S/c1-11-8-12(2)16(13(3)9-11)14(10-18)21(19,20)15-6-4-5-7-17-15/h4-10,14H,1-3H3
InChIKeyFAJBGSNPISPMBB-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.72
Rot. Bonds4

About 2-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenyl)acetaldehyde

2-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenyl)acetaldehyde (PubChem CID 87523505) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 2-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenyl)acetaldehyde.

Molecular Properties

Compound Name2-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenyl)acetaldehyde
PubChem CID87523505
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name2-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenyl)acetaldehyde
SMILESCc1cc(C)c(C(C=O)S(=O)(=O)c2ccccn2)c(C)c1
InChIInChI=1S/C16H17NO3S/c1-11-8-12(2)16(13(3)9-11)14(10-18)21(19,20)15-6-4-5-7-17-15/h4-10,14H,1-3H3
InChIKeyFAJBGSNPISPMBB-UHFFFAOYSA-N
XLogP2.72
TPSA64.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

pyridin-2-yl-(2,4,6-trimethylphenyl)methanol
CID 154106044
2-(1-fluoro-2-methylpropyl)sulfonylpyridine
CID 141385897
2-[1-(2,6-dichlorophenyl)ethylsulfonyl]pyridine
CID 56617000
2-methylpropane;pyridine-2-sulfonic acid
CID 174713168
2-diphenylphosphoryl-2-(2,4,6-trimethylphenyl)acetaldehyde
CID 118481550
2-(tribromomethylsulfonyl)pyridine
CID 159318212
2-[1-(4-bromophenyl)ethylsulfonyl]pyridine
CID 22764673
(2S)-N-[2-(3-methylphenoxy)ethyl]-2-pyridin-2-ylsulfonylpropanamide
CID 94027199
(E)-N-pyridin-2-yl-2-(2,4,6-trimethylphenyl)ethenesulfonamide
CID 97465028
4-methyl-3-pyridin-2-ylsulfonylthiophene-2-carbaldehyde
CID 87563604
2-[1-(4-methylsulfonylphenyl)ethylsulfonyl]pyridine
CID 21438617
7-methyl-1-pyridin-2-ylsulfonylindole-3-carbaldehyde
CID 71764561

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenyl)acetaldehyde?
The IUPAC name of 2-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenyl)acetaldehyde (CID 87523505) is 2-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenyl)acetaldehyde.
What is the SMILES notation for 2-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenyl)acetaldehyde?
The canonical SMILES for 2-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenyl)acetaldehyde is Cc1cc(C)c(C(C=O)S(=O)(=O)c2ccccn2)c(C)c1.
What is the InChIKey of 2-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenyl)acetaldehyde?
The InChIKey is FAJBGSNPISPMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-11-8-12(2)16(13(3)9-11)14(10-18)21(19,20)15-6-4-5-7-17-15/h4-10,14H,1-3H3.
What are the key properties of 2-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenyl)acetaldehyde?
2-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenyl)acetaldehyde has a molecular weight of 303.38 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenyl)acetaldehyde is sourced from PubChem (CID 87523505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).