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

C18H14N2O3S2 — CID 2767904

IUPAC[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanol
SMILESO=S(=O)(c1ccccc1)n1c(C(O)c2cccs2)cc2cccnc21
InChIInChI=1S/C18H14N2O3S2/c21-17(16-9-5-11-24-16)15-12-13-6-4-10-19-18(13)20(15)25(22,23)14-7-2-1-3-8-14/h1-12,17,21H
InChIKeyPVRJTXKOQAVDNO-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.42
Rot. Bonds4

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

[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanol (PubChem CID 2767904) has the molecular formula C18H14N2O3S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is [1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanol.

Molecular Properties

Compound Name[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanol
PubChem CID2767904
Molecular FormulaC18H14N2O3S2
Molecular Weight370.46 g/mol
Exact Mass370.04
IUPAC Name[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanol
SMILESO=S(=O)(c1ccccc1)n1c(C(O)c2cccs2)cc2cccnc21
InChIInChI=1S/C18H14N2O3S2/c21-17(16-9-5-11-24-16)15-12-13-6-4-10-19-18(13)20(15)25(22,23)14-7-2-1-3-8-14/h1-12,17,21H
InChIKeyPVRJTXKOQAVDNO-UHFFFAOYSA-N
XLogP3.42
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanol?
The IUPAC name of [1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanol (CID 2767904) is [1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanol.
What is the SMILES notation for [1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanol?
The canonical SMILES for [1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanol is O=S(=O)(c1ccccc1)n1c(C(O)c2cccs2)cc2cccnc21.
What is the InChIKey of [1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanol?
The InChIKey is PVRJTXKOQAVDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3S2/c21-17(16-9-5-11-24-16)15-12-13-6-4-10-19-18(13)20(15)25(22,23)14-7-2-1-3-8-14/h1-12,17,21H.
What are the key properties of [1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanol?
[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanol has a molecular weight of 370.46 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanol is sourced from PubChem (CID 2767904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).