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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Related Compounds

7-(benzenesulfonyl)-6-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidine
CID 141396849
1-(benzenesulfonyl)-4-(furan-2-yl)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-3-amine
CID 155927859
1-(benzenesulfonyl)-2-chloro-5-methylpyrrolo[2,3-b]pyridine
CID 121228705
1-(benzenesulfonyl)-5-fluoro-2-iodopyrrolo[2,3-b]pyridine
CID 121228726
6-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid
CID 129186604
[1-(benzenesulfonyl)-5-methoxypyrrolo[2,3-b]pyridin-2-yl]-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]methanol
CID 67229413
1-[1-(benzenesulfonyl)-5-fluoropyrrolo[2,3-b]pyridin-2-yl]-2-cyclobutyl-2-(4-methylsulfanylphenyl)ethanol
CID 123573904
1-(benzenesulfonyl)-2-ethyl-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine
CID 68951720
2-(furan-2-yl)-5-methylperoxysulfanyl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine
CID 20770552
1-(benzenesulfonyl)-5-iodopyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 71299156
1-(benzenesulfonyl)-2-[2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-yl]pyrrolo[2,3-b]pyridine-6-carbonitrile
CID 175932190
5-(furan-2-yl)-1-methylpyrazole-3-carboxylic acid
CID 7537639

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).