5-(2-fluoro-3-pyridinyl)-1-thiophen-2-ylsulfonylpyrrole-3-carbaldehyde

C14H9FN2O3S2 — CID 87384507

IUPAC5-(2-fluoro-3-pyridinyl)-1-thiophen-2-ylsulfonylpyrrole-3-carbaldehyde
SMILESO=Cc1cc(-c2cccnc2F)n(S(=O)(=O)c2cccs2)c1
InChIInChI=1S/C14H9FN2O3S2/c15-14-11(3-1-5-16-14)12-7-10(9-18)8-17(12)22(19,20)13-4-2-6-21-13/h1-9H
InChIKeyJXQLUQIJEGCHQE-UHFFFAOYSA-N
MW336.37 g/mol
LogP2.80
Rot. Bonds4

About 5-(2-fluoro-3-pyridinyl)-1-thiophen-2-ylsulfonylpyrrole-3-carbaldehyde

5-(2-fluoro-3-pyridinyl)-1-thiophen-2-ylsulfonylpyrrole-3-carbaldehyde (PubChem CID 87384507) has the molecular formula C14H9FN2O3S2 and a molecular weight of 336.37 g/mol. Its IUPAC name is 5-(2-fluoro-3-pyridinyl)-1-thiophen-2-ylsulfonylpyrrole-3-carbaldehyde.

Molecular Properties

Compound Name5-(2-fluoro-3-pyridinyl)-1-thiophen-2-ylsulfonylpyrrole-3-carbaldehyde
PubChem CID87384507
Molecular FormulaC14H9FN2O3S2
Molecular Weight336.37 g/mol
Exact Mass336.00
IUPAC Name5-(2-fluoro-3-pyridinyl)-1-thiophen-2-ylsulfonylpyrrole-3-carbaldehyde
SMILESO=Cc1cc(-c2cccnc2F)n(S(=O)(=O)c2cccs2)c1
InChIInChI=1S/C14H9FN2O3S2/c15-14-11(3-1-5-16-14)12-7-10(9-18)8-17(12)22(19,20)13-4-2-6-21-13/h1-9H
InChIKeyJXQLUQIJEGCHQE-UHFFFAOYSA-N
XLogP2.80
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)sulfonyl-5-(2-fluoro-3-pyridinyl)pyrrole-3-carbaldehyde
CID 164883787
3-[4-(methylaminomethyl)-1-thiophen-2-ylsulfonylpyrrol-2-yl]pyridine-2-carbonitrile
CID 67084318
3-(2-fluoro-3-pyridinyl)benzaldehyde
CID 165111787
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-[[5-(3-methoxypropoxy)-3-pyridinyl]sulfonyl]pyrrole-3-carbaldehyde
CID 166463351
2-phenyl-1-thiophen-2-ylsulfonylimidazole-4-carbaldehyde
CID 23660681
5-(2-fluorophenyl)-1-(3-pyridin-3-ylprop-2-enylsulfonyl)pyrrole-3-carbaldehyde
CID 174568427
2,2-dimethylpropyl-[[5-(2-fluoro-3-pyridinyl)-1-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpyrrol-3-yl]methyl]carbamic acid
CID 67398446
4-chloro-3-fluoro-2-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)pyridine
CID 166308965
1-[1-(3-fluoro-4-methylphenyl)sulfonyl-5-(2-fluoro-3-pyridinyl)pyrrol-3-yl]-N-methylmethanamine
CID 67084101
(E)-but-2-enedioic acid;1-[5-(2-fluoro-3-pyridinyl)-1-(3-methoxyphenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine
CID 67397796
[5-(2-fluoro-3-pyridinyl)-1-(3-methoxyphenyl)sulfonylpyrrol-3-yl]methyl N-methylcarbamate
CID 140530795

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-3-pyridinyl)-1-thiophen-2-ylsulfonylpyrrole-3-carbaldehyde?
The IUPAC name of 5-(2-fluoro-3-pyridinyl)-1-thiophen-2-ylsulfonylpyrrole-3-carbaldehyde (CID 87384507) is 5-(2-fluoro-3-pyridinyl)-1-thiophen-2-ylsulfonylpyrrole-3-carbaldehyde.
What is the SMILES notation for 5-(2-fluoro-3-pyridinyl)-1-thiophen-2-ylsulfonylpyrrole-3-carbaldehyde?
The canonical SMILES for 5-(2-fluoro-3-pyridinyl)-1-thiophen-2-ylsulfonylpyrrole-3-carbaldehyde is O=Cc1cc(-c2cccnc2F)n(S(=O)(=O)c2cccs2)c1.
What is the InChIKey of 5-(2-fluoro-3-pyridinyl)-1-thiophen-2-ylsulfonylpyrrole-3-carbaldehyde?
The InChIKey is JXQLUQIJEGCHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O3S2/c15-14-11(3-1-5-16-14)12-7-10(9-18)8-17(12)22(19,20)13-4-2-6-21-13/h1-9H.
What are the key properties of 5-(2-fluoro-3-pyridinyl)-1-thiophen-2-ylsulfonylpyrrole-3-carbaldehyde?
5-(2-fluoro-3-pyridinyl)-1-thiophen-2-ylsulfonylpyrrole-3-carbaldehyde has a molecular weight of 336.37 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-3-pyridinyl)-1-thiophen-2-ylsulfonylpyrrole-3-carbaldehyde is sourced from PubChem (CID 87384507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).