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

C14H12N2O3S — CID 90666439

IUPAC[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]methanol
SMILESO=S(=O)(c1ccccc1)n1c(CO)cc2cccnc21
InChIInChI=1S/C14H12N2O3S/c17-10-12-9-11-5-4-8-15-14(11)16(12)20(18,19)13-6-2-1-3-7-13/h1-9,17H,10H2
InChIKeyRZJMJENREAOUKS-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.77
Rot. Bonds3

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

[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]methanol (PubChem CID 90666439) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is [1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]methanol.

Molecular Properties

Compound Name[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]methanol
PubChem CID90666439
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]methanol
SMILESO=S(=O)(c1ccccc1)n1c(CO)cc2cccnc21
InChIInChI=1S/C14H12N2O3S/c17-10-12-9-11-5-4-8-15-14(11)16(12)20(18,19)13-6-2-1-3-7-13/h1-9,17H,10H2
InChIKeyRZJMJENREAOUKS-UHFFFAOYSA-N
XLogP1.77
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]methanol?
The IUPAC name of [1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]methanol (CID 90666439) is [1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]methanol.
What is the SMILES notation for [1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]methanol?
The canonical SMILES for [1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]methanol is O=S(=O)(c1ccccc1)n1c(CO)cc2cccnc21.
What is the InChIKey of [1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]methanol?
The InChIKey is RZJMJENREAOUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c17-10-12-9-11-5-4-8-15-14(11)16(12)20(18,19)13-6-2-1-3-7-13/h1-9,17H,10H2.
What are the key properties of [1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]methanol?
[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]methanol has a molecular weight of 288.33 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]methanol is sourced from PubChem (CID 90666439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).