5-(2,4-difluorophenyl)-4-methoxy-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde

C17H12F2N2O4S — CID 164883824

IUPAC5-(2,4-difluorophenyl)-4-methoxy-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde
SMILESCOc1c(C=O)cn(S(=O)(=O)c2cccnc2)c1-c1ccc(F)cc1F
InChIInChI=1S/C17H12F2N2O4S/c1-25-17-11(10-22)9-21(26(23,24)13-3-2-6-20-8-13)16(17)14-5-4-12(18)7-15(14)19/h2-10H,1H3
InChIKeyRZPUHQLRFPSKEO-UHFFFAOYSA-N
MW378.36 g/mol
LogP2.89
Rot. Bonds5

About 5-(2,4-difluorophenyl)-4-methoxy-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde

5-(2,4-difluorophenyl)-4-methoxy-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde (PubChem CID 164883824) has the molecular formula C17H12F2N2O4S and a molecular weight of 378.36 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-4-methoxy-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-4-methoxy-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde
PubChem CID164883824
Molecular FormulaC17H12F2N2O4S
Molecular Weight378.36 g/mol
Exact Mass378.05
IUPAC Name5-(2,4-difluorophenyl)-4-methoxy-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde
SMILESCOc1c(C=O)cn(S(=O)(=O)c2cccnc2)c1-c1ccc(F)cc1F
InChIInChI=1S/C17H12F2N2O4S/c1-25-17-11(10-22)9-21(26(23,24)13-3-2-6-20-8-13)16(17)14-5-4-12(18)7-15(14)19/h2-10H,1H3
InChIKeyRZPUHQLRFPSKEO-UHFFFAOYSA-N
XLogP2.89
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluorophenyl)sulfonyl-4-methoxy-5-(2,4,6-trifluorophenyl)pyrrole-3-carbaldehyde
CID 135353595
4-cyclopropyl-5-[4-(cyclopropylmethoxy)-2-fluorophenyl]-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde
CID 178134459
methyl 4-methoxy-1-pyridin-3-ylsulfonyl-5-(2,4,6-trifluorophenyl)pyrrole-3-carboxylate
CID 164883843
1-[5-(2,4-difluorophenyl)-4-methoxy-1-[(6-methyl-3-pyridinyl)sulfonyl]pyrrol-3-yl]-N-methylmethanamine
CID 162519670
1-[5-(2,4-difluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]-N-methylmethanamine;dihydrochloride
CID 66925105
1-[5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine;hydrochloride
CID 130454904
1-[5-(2,4-difluorophenyl)-1-(4-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine
CID 174226240
3-formyl-1-pyridin-3-ylsulfonylindole-6-carboxylic acid
CID 134346877
tert-butyl 2-(2,4-difluorophenyl)-4-formyl-3-methoxypyrrole-1-carboxylate
CID 162519687
1-(benzenesulfonyl)-5-fluoroindole-3-carbaldehyde
CID 151908022
1-[5-(2,5-difluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]-N-methylmethanamine
CID 66925096
5-(2,4-difluorophenyl)-4-methoxy-1H-pyrrole-3-carbaldehyde
CID 162519676

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-4-methoxy-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde?
The IUPAC name of 5-(2,4-difluorophenyl)-4-methoxy-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde (CID 164883824) is 5-(2,4-difluorophenyl)-4-methoxy-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde.
What is the SMILES notation for 5-(2,4-difluorophenyl)-4-methoxy-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde?
The canonical SMILES for 5-(2,4-difluorophenyl)-4-methoxy-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde is COc1c(C=O)cn(S(=O)(=O)c2cccnc2)c1-c1ccc(F)cc1F.
What is the InChIKey of 5-(2,4-difluorophenyl)-4-methoxy-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde?
The InChIKey is RZPUHQLRFPSKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O4S/c1-25-17-11(10-22)9-21(26(23,24)13-3-2-6-20-8-13)16(17)14-5-4-12(18)7-15(14)19/h2-10H,1H3.
What are the key properties of 5-(2,4-difluorophenyl)-4-methoxy-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde?
5-(2,4-difluorophenyl)-4-methoxy-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde has a molecular weight of 378.36 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-4-methoxy-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde is sourced from PubChem (CID 164883824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).