5-bromo-2-methyl-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde;1-bromopyrrolidine-2,5-dione;2-methyl-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde

C26H23Br2N5O8S2 — CID 158218376

IUPAC5-bromo-2-methyl-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde;1-bromopyrrolidine-2,5-dione;2-methyl-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde
SMILESCc1c(C=O)cc(Br)n1S(=O)(=O)c1cccnc1.Cc1c(C=O)ccn1S(=O)(=O)c1cccnc1.O=C1CCC(=O)N1Br
InChIInChI=1S/C11H9BrN2O3S.C11H10N2O3S.C4H4BrNO2/c1-8-9(7-15)5-11(12)14(8)18(16,17)10-3-2-4-13-6-10;1-9-10(8-14)4-6-13(9)17(15,16)11-3-2-5-12-7-11;5-6-3(7)1-2-4(6)8/h2-7H,1H3;2-8H,1H3;1-2H2
InChIKeyGCYDSNNQVYLPJV-UHFFFAOYSA-N
MW757.44 g/mol
LogP3.69
Rot. Bonds6

About 5-bromo-2-methyl-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde;1-bromopyrrolidine-2,5-dione;2-methyl-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde

5-bromo-2-methyl-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde;1-bromopyrrolidine-2,5-dione;2-methyl-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde (PubChem CID 158218376) has the molecular formula C26H23Br2N5O8S2 and a molecular weight of 757.44 g/mol. Its IUPAC name is 5-bromo-2-methyl-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde;1-bromopyrrolidine-2,5-dione;2-methyl-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde.

Molecular Properties

Compound Name5-bromo-2-methyl-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde;1-bromopyrrolidine-2,5-dione;2-methyl-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde
PubChem CID158218376
Molecular FormulaC26H23Br2N5O8S2
Molecular Weight757.44 g/mol
Exact Mass754.94
IUPAC Name5-bromo-2-methyl-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde;1-bromopyrrolidine-2,5-dione;2-methyl-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde
SMILESCc1c(C=O)cc(Br)n1S(=O)(=O)c1cccnc1.Cc1c(C=O)ccn1S(=O)(=O)c1cccnc1.O=C1CCC(=O)N1Br
InChIInChI=1S/C11H9BrN2O3S.C11H10N2O3S.C4H4BrNO2/c1-8-9(7-15)5-11(12)14(8)18(16,17)10-3-2-4-13-6-10;1-9-10(8-14)4-6-13(9)17(15,16)11-3-2-5-12-7-11;5-6-3(7)1-2-4(6)8/h2-7H,1H3;2-8H,1H3;1-2H2
InChIKeyGCYDSNNQVYLPJV-UHFFFAOYSA-N
XLogP3.69
TPSA175.44 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.44
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 5-bromo-2-methyl-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde;1-bromopyrrolidine-2,5-dione;2-methyl-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde;1-bromopyrrolidine-2,5-dione;2-methyl-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde?
The IUPAC name of 5-bromo-2-methyl-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde;1-bromopyrrolidine-2,5-dione;2-methyl-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde (CID 158218376) is 5-bromo-2-methyl-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde;1-bromopyrrolidine-2,5-dione;2-methyl-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde.
What is the SMILES notation for 5-bromo-2-methyl-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde;1-bromopyrrolidine-2,5-dione;2-methyl-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde?
The canonical SMILES for 5-bromo-2-methyl-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde;1-bromopyrrolidine-2,5-dione;2-methyl-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde is Cc1c(C=O)cc(Br)n1S(=O)(=O)c1cccnc1.Cc1c(C=O)ccn1S(=O)(=O)c1cccnc1.O=C1CCC(=O)N1Br.
What is the InChIKey of 5-bromo-2-methyl-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde;1-bromopyrrolidine-2,5-dione;2-methyl-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde?
The InChIKey is GCYDSNNQVYLPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O3S.C11H10N2O3S.C4H4BrNO2/c1-8-9(7-15)5-11(12)14(8)18(16,17)10-3-2-4-13-6-10;1-9-10(8-14)4-6-13(9)17(15,16)11-3-2-5-12-7-11;5-6-3(7)1-2-4(6)8/h2-7H,1H3;2-8H,1H3;1-2H2.
What are the key properties of 5-bromo-2-methyl-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde;1-bromopyrrolidine-2,5-dione;2-methyl-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde?
5-bromo-2-methyl-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde;1-bromopyrrolidine-2,5-dione;2-methyl-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde has a molecular weight of 757.44 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde;1-bromopyrrolidine-2,5-dione;2-methyl-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde is sourced from PubChem (CID 158218376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).