1-(benzenesulfonyl)-2-(furan-2-yl)-5-methylsulfanylpyrrolo[2,3-b]pyridine

C18H14N2O3S2 — CID 15486852

IUPAC1-(benzenesulfonyl)-2-(furan-2-yl)-5-methylsulfanylpyrrolo[2,3-b]pyridine
SMILESCSc1cnc2c(c1)cc(-c1ccco1)n2S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H14N2O3S2/c1-24-14-10-13-11-16(17-8-5-9-23-17)20(18(13)19-12-14)25(21,22)15-6-3-2-4-7-15/h2-12H,1H3
InChIKeyCSRAMOOACOMLOQ-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.26
Rot. Bonds4

About 1-(benzenesulfonyl)-2-(furan-2-yl)-5-methylsulfanylpyrrolo[2,3-b]pyridine

1-(benzenesulfonyl)-2-(furan-2-yl)-5-methylsulfanylpyrrolo[2,3-b]pyridine (PubChem CID 15486852) has the molecular formula C18H14N2O3S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-(furan-2-yl)-5-methylsulfanylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-(furan-2-yl)-5-methylsulfanylpyrrolo[2,3-b]pyridine
PubChem CID15486852
Molecular FormulaC18H14N2O3S2
Molecular Weight370.46 g/mol
Exact Mass370.04
IUPAC Name1-(benzenesulfonyl)-2-(furan-2-yl)-5-methylsulfanylpyrrolo[2,3-b]pyridine
SMILESCSc1cnc2c(c1)cc(-c1ccco1)n2S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H14N2O3S2/c1-24-14-10-13-11-16(17-8-5-9-23-17)20(18(13)19-12-14)25(21,22)15-6-3-2-4-7-15/h2-12H,1H3
InChIKeyCSRAMOOACOMLOQ-UHFFFAOYSA-N
XLogP4.26
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-(furan-2-yl)-5-methylsulfanylpyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(benzenesulfonyl)-2-(furan-2-yl)-5-methylsulfanylpyrrolo[2,3-b]pyridine (CID 15486852) is 1-(benzenesulfonyl)-2-(furan-2-yl)-5-methylsulfanylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)-2-(furan-2-yl)-5-methylsulfanylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)-2-(furan-2-yl)-5-methylsulfanylpyrrolo[2,3-b]pyridine is CSc1cnc2c(c1)cc(-c1ccco1)n2S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-2-(furan-2-yl)-5-methylsulfanylpyrrolo[2,3-b]pyridine?
The InChIKey is CSRAMOOACOMLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3S2/c1-24-14-10-13-11-16(17-8-5-9-23-17)20(18(13)19-12-14)25(21,22)15-6-3-2-4-7-15/h2-12H,1H3.
What are the key properties of 1-(benzenesulfonyl)-2-(furan-2-yl)-5-methylsulfanylpyrrolo[2,3-b]pyridine?
1-(benzenesulfonyl)-2-(furan-2-yl)-5-methylsulfanylpyrrolo[2,3-b]pyridine has a molecular weight of 370.46 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-(furan-2-yl)-5-methylsulfanylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 15486852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).