potassium;benzenesulfonyl chloride;1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbaldehyde;7H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine-6-carbaldehyde;bis(1-ethylpyrrolo[2,3-b]pyridine-2-carbaldehyde);iodoethane;oxolane;hydroxide

C76H73ClIKN10O12S3 — CID 158186012

About potassium;benzenesulfonyl chloride;1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbaldehyde;7H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine-6-carbaldehyde;bis(1-ethylpyrrolo[2,3-b]pyridine-2-carbaldehyde);iodoethane;oxolane;hydroxide

potassium;benzenesulfonyl chloride;1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbaldehyde;7H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine-6-carbaldehyde;bis(1-ethylpyrrolo[2,3-b]pyridine-2-carbaldehyde);iodoethane;oxolane;hydroxide (PubChem CID 158186012) has the molecular formula C76H73ClIKN10O12S3 and a molecular weight of 1616.13 g/mol. Its IUPAC name is potassium;benzenesulfonyl chloride;1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbaldehyde;7H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine-6-carbaldehyde;bis(1-ethylpyrrolo[2,3-b]pyridine-2-carbaldehyde);iodoethane;oxolane;hydroxide.

Molecular Properties

• Compound Name: potassium;benzenesulfonyl chloride;1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbaldehyde;7H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine-6-carbaldehyde;bis(1-ethylpyrrolo[2,3-b]pyridine-2-carbaldehyde);iodoethane;oxolane;hydroxide
• PubChem CID: 158186012
• Molecular Formula: C76H73ClIKN10O12S3
• Molecular Weight: 1616.13 g/mol
• Exact Mass: 1614.29
• IUPAC Name: potassium;benzenesulfonyl chloride;1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbaldehyde;7H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine-6-carbaldehyde;bis(1-ethylpyrrolo[2,3-b]pyridine-2-carbaldehyde);iodoethane;oxolane;hydroxide
• SMILES: C1=Cc2cccnc2C1.C1CCOC1.CCI.CCn1c(C=O)cc2cccnc21.CCn1c(C=O)cc2cccnc21.O=CC1=Cc2cccnc2C1.O=Cc1cc2cccnc2n1S(=O)(=O)c1ccccc1.O=S(=O)(Cl)c1ccccc1.O=S(=O)(c1ccccc1)n1ccc2cccnc21.[K+].[OH-]
• InChI: InChI=1S/C14H10N2O3S.C13H10N2O2S.2C10H10N2O.C9H7NO.C8H7N.C6H5ClO2S.C4H8O.C2H5I.K.H2O/c17-10-12-9-11-5-4-8-15-14(11)16(12)20(18,19)13-6-2-1-3-7-13;16-18(17,12-6-2-1-3-7-12)15-10-8-11-5-4-9-14-13(11)15;2*1-2-12-9(7-13)6-8-4-3-5-11-10(8)12;11-6-7-4-8-2-1-3-10-9(8)5-7;1-3-7-4-2-6-9-8(7)5-1;7-10(8,9)6-4-2-1-3-5-6;1-2-4-5-3-1;1-2-3;;/h1-10H;1-10H;2*3-7H,2H2,1H3;1-4,6H,5H2;1-4,6H,5H2;1-5H;1-4H2;2H2,1H3;;1H2/q;;;;;;;;;+1;/p-1
• InChIKey: FZDJXUUZMSYVPF-UHFFFAOYSA-M
• XLogP: 11.65
• TPSA: 306.99 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 11
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1616.13
LogP ≤ 5	11.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of potassium;benzenesulfonyl chloride;1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbaldehyde;7H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine-6-carbaldehyde;bis(1-ethylpyrrolo[2,3-b]pyridine-2-carbaldehyde);iodoethane;oxolane;hydroxide?

The IUPAC name of potassium;benzenesulfonyl chloride;1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbaldehyde;7H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine-6-carbaldehyde;bis(1-ethylpyrrolo[2,3-b]pyridine-2-carbaldehyde);iodoethane;oxolane;hydroxide (CID 158186012) is potassium;benzenesulfonyl chloride;1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbaldehyde;7H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine-6-carbaldehyde;bis(1-ethylpyrrolo[2,3-b]pyridine-2-carbaldehyde);iodoethane;oxolane;hydroxide.

What is the SMILES notation for potassium;benzenesulfonyl chloride;1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbaldehyde;7H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine-6-carbaldehyde;bis(1-ethylpyrrolo[2,3-b]pyridine-2-carbaldehyde);iodoethane;oxolane;hydroxide?

The canonical SMILES for potassium;benzenesulfonyl chloride;1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbaldehyde;7H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine-6-carbaldehyde;bis(1-ethylpyrrolo[2,3-b]pyridine-2-carbaldehyde);iodoethane;oxolane;hydroxide is C1=Cc2cccnc2C1.C1CCOC1.CCI.CCn1c(C=O)cc2cccnc21.CCn1c(C=O)cc2cccnc21.O=CC1=Cc2cccnc2C1.O=Cc1cc2cccnc2n1S(=O)(=O)c1ccccc1.O=S(=O)(Cl)c1ccccc1.O=S(=O)(c1ccccc1)n1ccc2cccnc21.[K+].[OH-].

What is the InChIKey of potassium;benzenesulfonyl chloride;1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbaldehyde;7H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine-6-carbaldehyde;bis(1-ethylpyrrolo[2,3-b]pyridine-2-carbaldehyde);iodoethane;oxolane;hydroxide?

The InChIKey is FZDJXUUZMSYVPF-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H10N2O3S.C13H10N2O2S.2C10H10N2O.C9H7NO.C8H7N.C6H5ClO2S.C4H8O.C2H5I.K.H2O/c17-10-12-9-11-5-4-8-15-14(11)16(12)20(18,19)13-6-2-1-3-7-13;16-18(17,12-6-2-1-3-7-12)15-10-8-11-5-4-9-14-13(11)15;2*1-2-12-9(7-13)6-8-4-3-5-11-10(8)12;11-6-7-4-8-2-1-3-10-9(8)5-7;1-3-7-4-2-6-9-8(7)5-1;7-10(8,9)6-4-2-1-3-5-6;1-2-4-5-3-1;1-2-3;;/h1-10H;1-10H;2*3-7H,2H2,1H3;1-4,6H,5H2;1-4,6H,5H2;1-5H;1-4H2;2H2,1H3;;1H2/q;;;;;;;;;+1;/p-1.

What are the key properties of potassium;benzenesulfonyl chloride;1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbaldehyde;7H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine-6-carbaldehyde;bis(1-ethylpyrrolo[2,3-b]pyridine-2-carbaldehyde);iodoethane;oxolane;hydroxide?

potassium;benzenesulfonyl chloride;1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbaldehyde;7H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine-6-carbaldehyde;bis(1-ethylpyrrolo[2,3-b]pyridine-2-carbaldehyde);iodoethane;oxolane;hydroxide has a molecular weight of 1616.13 g/mol, XLogP of 11.65, 11 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;benzenesulfonyl chloride;1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbaldehyde;7H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine-6-carbaldehyde;bis(1-ethylpyrrolo[2,3-b]pyridine-2-carbaldehyde);iodoethane;oxolane;hydroxide is sourced from PubChem (CID 158186012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).