5-(2-fluorophenyl)-1-(3-pyridin-3-ylprop-2-enylsulfonyl)pyrrole-3-carbaldehyde

C19H15FN2O3S — CID 174568427

IUPAC5-(2-fluorophenyl)-1-(3-pyridin-3-ylprop-2-enylsulfonyl)pyrrole-3-carbaldehyde
SMILESO=Cc1cc(-c2ccccc2F)n(S(=O)(=O)CC=Cc2cccnc2)c1
InChIInChI=1S/C19H15FN2O3S/c20-18-8-2-1-7-17(18)19-11-16(14-23)13-22(19)26(24,25)10-4-6-15-5-3-9-21-12-15/h1-9,11-14H,10H2
InChIKeyBZYSLHCPTJVOGF-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.39
Rot. Bonds6

About 5-(2-fluorophenyl)-1-(3-pyridin-3-ylprop-2-enylsulfonyl)pyrrole-3-carbaldehyde

5-(2-fluorophenyl)-1-(3-pyridin-3-ylprop-2-enylsulfonyl)pyrrole-3-carbaldehyde (PubChem CID 174568427) has the molecular formula C19H15FN2O3S and a molecular weight of 370.41 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-1-(3-pyridin-3-ylprop-2-enylsulfonyl)pyrrole-3-carbaldehyde.

Molecular Properties

Compound Name5-(2-fluorophenyl)-1-(3-pyridin-3-ylprop-2-enylsulfonyl)pyrrole-3-carbaldehyde
PubChem CID174568427
Molecular FormulaC19H15FN2O3S
Molecular Weight370.41 g/mol
Exact Mass370.08
IUPAC Name5-(2-fluorophenyl)-1-(3-pyridin-3-ylprop-2-enylsulfonyl)pyrrole-3-carbaldehyde
SMILESO=Cc1cc(-c2ccccc2F)n(S(=O)(=O)CC=Cc2cccnc2)c1
InChIInChI=1S/C19H15FN2O3S/c20-18-8-2-1-7-17(18)19-11-16(14-23)13-22(19)26(24,25)10-4-6-15-5-3-9-21-12-15/h1-9,11-14H,10H2
InChIKeyBZYSLHCPTJVOGF-UHFFFAOYSA-N
XLogP3.39
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.39
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

1-[5-(2-fluorophenyl)-1-(3-pyridin-3-ylprop-2-enylsulfonyl)pyrrol-3-yl]-N-methylmethanamine
CID 174553727
1-[3-(6-chloro-3-pyridinyl)prop-2-enylsulfonyl]-5-phenylpyrrole-3-carbaldehyde
CID 174553623
1-[5-(3-fluorophenyl)-1-(3-pyridin-3-ylprop-2-enylsulfonyl)pyrrol-3-yl]-N-methylmethanamine
CID 174553607
2-bromo-5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde;5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde
CID 161441428
N-methyl-5-(3-methyl-2-pyridinyl)-1-(3-pyridin-3-ylprop-2-enylsulfonyl)pyrrol-3-amine
CID 174553681
1-[4-fluoro-5-phenyl-1-(3-pyridin-3-ylprop-2-enylsulfonyl)pyrrol-3-yl]-N-methylmethanamine;dihydrochloride
CID 174568272
tert-butyl N-[[5-(4-fluorophenyl)-1-(3-pyridin-3-ylprop-2-enylsulfonyl)pyrrol-3-yl]methyl]-N-methylcarbamate
CID 174568374
1-(3-bromophenyl)sulfonyl-5-(2-fluorophenyl)pyrrole-3-carbaldehyde
CID 166463331
5-(2-fluorophenyl)-1-[[5-(3-methoxypropoxy)-3-pyridinyl]sulfonyl]pyrrole-3-carbaldehyde
CID 166463351
5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrole-3-carbonitrile
CID 141403376
1-(4-chlorophenyl)sulfonyl-5-(2-fluoro-3-pyridinyl)pyrrole-3-carbaldehyde
CID 164883787
1-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]-N,N-dimethylmethanamine;hydrochloride
CID 175666290

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-1-(3-pyridin-3-ylprop-2-enylsulfonyl)pyrrole-3-carbaldehyde?
The IUPAC name of 5-(2-fluorophenyl)-1-(3-pyridin-3-ylprop-2-enylsulfonyl)pyrrole-3-carbaldehyde (CID 174568427) is 5-(2-fluorophenyl)-1-(3-pyridin-3-ylprop-2-enylsulfonyl)pyrrole-3-carbaldehyde.
What is the SMILES notation for 5-(2-fluorophenyl)-1-(3-pyridin-3-ylprop-2-enylsulfonyl)pyrrole-3-carbaldehyde?
The canonical SMILES for 5-(2-fluorophenyl)-1-(3-pyridin-3-ylprop-2-enylsulfonyl)pyrrole-3-carbaldehyde is O=Cc1cc(-c2ccccc2F)n(S(=O)(=O)CC=Cc2cccnc2)c1.
What is the InChIKey of 5-(2-fluorophenyl)-1-(3-pyridin-3-ylprop-2-enylsulfonyl)pyrrole-3-carbaldehyde?
The InChIKey is BZYSLHCPTJVOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O3S/c20-18-8-2-1-7-17(18)19-11-16(14-23)13-22(19)26(24,25)10-4-6-15-5-3-9-21-12-15/h1-9,11-14H,10H2.
What are the key properties of 5-(2-fluorophenyl)-1-(3-pyridin-3-ylprop-2-enylsulfonyl)pyrrole-3-carbaldehyde?
5-(2-fluorophenyl)-1-(3-pyridin-3-ylprop-2-enylsulfonyl)pyrrole-3-carbaldehyde has a molecular weight of 370.41 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-1-(3-pyridin-3-ylprop-2-enylsulfonyl)pyrrole-3-carbaldehyde is sourced from PubChem (CID 174568427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).