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

C15H14N2O3S — CID 90666442

IUPAC2-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]ethanol
SMILESO=S(=O)(c1ccccc1)n1c(CCO)cc2cccnc21
InChIInChI=1S/C15H14N2O3S/c18-10-8-13-11-12-5-4-9-16-15(12)17(13)21(19,20)14-6-2-1-3-7-14/h1-7,9,11,18H,8,10H2
InChIKeyUFCRQIDPDFAARP-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.81
Rot. Bonds4

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

2-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]ethanol (PubChem CID 90666442) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]ethanol
PubChem CID90666442
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name2-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]ethanol
SMILESO=S(=O)(c1ccccc1)n1c(CCO)cc2cccnc21
InChIInChI=1S/C15H14N2O3S/c18-10-8-13-11-12-5-4-9-16-15(12)17(13)21(19,20)14-6-2-1-3-7-14/h1-7,9,11,18H,8,10H2
InChIKeyUFCRQIDPDFAARP-UHFFFAOYSA-N
XLogP1.81
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]ethanol?
The IUPAC name of 2-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]ethanol (CID 90666442) is 2-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]ethanol?
The canonical SMILES for 2-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]ethanol is O=S(=O)(c1ccccc1)n1c(CCO)cc2cccnc21.
What is the InChIKey of 2-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]ethanol?
The InChIKey is UFCRQIDPDFAARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c18-10-8-13-11-12-5-4-9-16-15(12)17(13)21(19,20)14-6-2-1-3-7-14/h1-7,9,11,18H,8,10H2.
What are the key properties of 2-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]ethanol?
2-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]ethanol has a molecular weight of 302.36 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]ethanol is sourced from PubChem (CID 90666442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).