1-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]ethanol

C15H14N2O3S — CID 90666441

IUPAC1-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]ethanol
SMILESCC(O)c1cc2cccnc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H14N2O3S/c1-11(18)14-10-12-6-5-9-16-15(12)17(14)21(19,20)13-7-3-2-4-8-13/h2-11,18H,1H3
InChIKeyJSYGCTKFUQHNOL-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.33
Rot. Bonds3

About 1-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]ethanol

1-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]ethanol (PubChem CID 90666441) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 1-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]ethanol
PubChem CID90666441
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name1-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]ethanol
SMILESCC(O)c1cc2cccnc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H14N2O3S/c1-11(18)14-10-12-6-5-9-16-15(12)17(14)21(19,20)13-7-3-2-4-8-13/h2-11,18H,1H3
InChIKeyJSYGCTKFUQHNOL-UHFFFAOYSA-N
XLogP2.33
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]ethanol?
The IUPAC name of 1-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]ethanol (CID 90666441) is 1-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]ethanol.
What is the SMILES notation for 1-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]ethanol?
The canonical SMILES for 1-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]ethanol is CC(O)c1cc2cccnc2n1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]ethanol?
The InChIKey is JSYGCTKFUQHNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-11(18)14-10-12-6-5-9-16-15(12)17(14)21(19,20)13-7-3-2-4-8-13/h2-11,18H,1H3.
What are the key properties of 1-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]ethanol?
1-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]ethanol has a molecular weight of 302.36 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]ethanol is sourced from PubChem (CID 90666441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).