4-(2-fluorophenyl)-5-pyridin-3-ylsulfonylthiophene-2-carbaldehyde

C16H10FNO3S2 — CID 86631591

IUPAC4-(2-fluorophenyl)-5-pyridin-3-ylsulfonylthiophene-2-carbaldehyde
SMILESO=Cc1cc(-c2ccccc2F)c(S(=O)(=O)c2cccnc2)s1
InChIInChI=1S/C16H10FNO3S2/c17-15-6-2-1-5-13(15)14-8-11(10-19)22-16(14)23(20,21)12-4-3-7-18-9-12/h1-10H
InChIKeyVBSUHTQEJBRKKA-UHFFFAOYSA-N
MW347.39 g/mol
LogP3.59
Rot. Bonds4

About 4-(2-fluorophenyl)-5-pyridin-3-ylsulfonylthiophene-2-carbaldehyde

4-(2-fluorophenyl)-5-pyridin-3-ylsulfonylthiophene-2-carbaldehyde (PubChem CID 86631591) has the molecular formula C16H10FNO3S2 and a molecular weight of 347.39 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-5-pyridin-3-ylsulfonylthiophene-2-carbaldehyde.

Molecular Properties

Compound Name4-(2-fluorophenyl)-5-pyridin-3-ylsulfonylthiophene-2-carbaldehyde
PubChem CID86631591
Molecular FormulaC16H10FNO3S2
Molecular Weight347.39 g/mol
Exact Mass347.01
IUPAC Name4-(2-fluorophenyl)-5-pyridin-3-ylsulfonylthiophene-2-carbaldehyde
SMILESO=Cc1cc(-c2ccccc2F)c(S(=O)(=O)c2cccnc2)s1
InChIInChI=1S/C16H10FNO3S2/c17-15-6-2-1-5-13(15)14-8-11(10-19)22-16(14)23(20,21)12-4-3-7-18-9-12/h1-10H
InChIKeyVBSUHTQEJBRKKA-UHFFFAOYSA-N
XLogP3.59
TPSA64.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 53.59
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

3-(benzenesulfonyl)pyridine
CID 5147032
(E)-but-2-enedioic acid;1-[5-(2-fluorophenyl)-4-pyridin-3-ylsulfonylthiophen-2-yl]-N-methylmethanamine
CID 68922845
N-[[5-(benzenesulfonyl)-4-(2-fluorophenyl)thiophen-2-yl]methyl]ethanamine;hydrochloride
CID 68926403
2-bromo-5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde;5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde
CID 161441428
5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrole-3-carbonitrile
CID 141403376
[4-(2-cyanophenyl)-5-pyridin-3-ylsulfonylthiophen-2-yl]methyl-methylcarbamic acid
CID 68924551
1-[1-(2-fluorophenyl)-5-pyridin-3-ylsulfonylpyrazol-3-yl]-N-methylmethanamine
CID 25234875
5-(2-fluorophenyl)-1-(3-pyridin-3-ylprop-2-enylsulfonyl)pyrrole-3-carbaldehyde
CID 174568427
1-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]-N,N-dimethylmethanamine;hydrochloride
CID 175666290
(E)-4-[[4-(2-fluorophenyl)-5-(3-methoxyphenyl)sulfonylthiophen-2-yl]-(methylamino)methoxy]-4-oxobut-2-enoic acid
CID 68925187
[5-(2-fluorophenyl)-1-methyl-1-pyridin-3-ylsulfonylpyrrol-1-ium-3-yl]methanamine
CID 75409809
4-(2-fluorophenyl)furan-3-carbaldehyde
CID 82375528

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-5-pyridin-3-ylsulfonylthiophene-2-carbaldehyde?
The IUPAC name of 4-(2-fluorophenyl)-5-pyridin-3-ylsulfonylthiophene-2-carbaldehyde (CID 86631591) is 4-(2-fluorophenyl)-5-pyridin-3-ylsulfonylthiophene-2-carbaldehyde.
What is the SMILES notation for 4-(2-fluorophenyl)-5-pyridin-3-ylsulfonylthiophene-2-carbaldehyde?
The canonical SMILES for 4-(2-fluorophenyl)-5-pyridin-3-ylsulfonylthiophene-2-carbaldehyde is O=Cc1cc(-c2ccccc2F)c(S(=O)(=O)c2cccnc2)s1.
What is the InChIKey of 4-(2-fluorophenyl)-5-pyridin-3-ylsulfonylthiophene-2-carbaldehyde?
The InChIKey is VBSUHTQEJBRKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNO3S2/c17-15-6-2-1-5-13(15)14-8-11(10-19)22-16(14)23(20,21)12-4-3-7-18-9-12/h1-10H.
What are the key properties of 4-(2-fluorophenyl)-5-pyridin-3-ylsulfonylthiophene-2-carbaldehyde?
4-(2-fluorophenyl)-5-pyridin-3-ylsulfonylthiophene-2-carbaldehyde has a molecular weight of 347.39 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-5-pyridin-3-ylsulfonylthiophene-2-carbaldehyde is sourced from PubChem (CID 86631591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).