[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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(6-Thiophen-2-ylimidazo[1,2-a]pyrazin-3-yl)phenyl]methanol
CID 155538840
[4-(6-Thiophen-3-ylimidazo[1,2-a]pyrazin-3-yl)phenyl]methanol
CID 155554723
[9-(Thiophen-2-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol
CID 127028806
[9-(Thiophen-3-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol
CID 127028807
[1-(Benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]methanol
CID 90666439
[4-(3-Thiophen-2-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]methanol
CID 117769565
[3-(6-Thiophen-2-ylimidazo[1,2-a]pyrazin-3-yl)phenyl]methanol
CID 117769591
[4-[3-(3-Thienyl)imidazo [1,2-a]pyrazin-6-yl]phenyl] methanol
CID 126673074
1-benzyl-3-(1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-3-ol
CID 58172475
(4-fluorophenyl)[1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanol
CID 3776257
1-[1-(Benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]ethanol
CID 90666441
(1-(4-fluorobenzyl)-5-methanesulfonyl-1H-pyrrolo[2,3-b]pyridin-2-yl)methanol
CID 22504455

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).