3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]-1H-indol-5-ol

C22H17N3O3S — CID 22477556

IUPAC3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]-1H-indol-5-ol
SMILESCc1ccc(S(=O)(=O)n2c(-c3c[nH]c4ccc(O)cc34)cc3cccnc32)cc1
InChIInChI=1S/C22H17N3O3S/c1-14-4-7-17(8-5-14)29(27,28)25-21(11-15-3-2-10-23-22(15)25)19-13-24-20-9-6-16(26)12-18(19)20/h2-13,24,26H,1H3
InChIKeyMPSTXQNYLFIQTO-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.44
Rot. Bonds3

About 3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]-1H-indol-5-ol

3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]-1H-indol-5-ol (PubChem CID 22477556) has the molecular formula C22H17N3O3S and a molecular weight of 403.46 g/mol. Its IUPAC name is 3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]-1H-indol-5-ol.

Molecular Properties

Compound Name3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]-1H-indol-5-ol
PubChem CID22477556
Molecular FormulaC22H17N3O3S
Molecular Weight403.46 g/mol
Exact Mass403.10
IUPAC Name3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]-1H-indol-5-ol
SMILESCc1ccc(S(=O)(=O)n2c(-c3c[nH]c4ccc(O)cc34)cc3cccnc32)cc1
InChIInChI=1S/C22H17N3O3S/c1-14-4-7-17(8-5-14)29(27,28)25-21(11-15-3-2-10-23-22(15)25)19-13-24-20-9-6-16(26)12-18(19)20/h2-13,24,26H,1H3
InChIKeyMPSTXQNYLFIQTO-UHFFFAOYSA-N
XLogP4.44
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]-1H-indol-5-ol?
The IUPAC name of 3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]-1H-indol-5-ol (CID 22477556) is 3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]-1H-indol-5-ol.
What is the SMILES notation for 3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]-1H-indol-5-ol?
The canonical SMILES for 3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]-1H-indol-5-ol is Cc1ccc(S(=O)(=O)n2c(-c3c[nH]c4ccc(O)cc34)cc3cccnc32)cc1.
What is the InChIKey of 3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]-1H-indol-5-ol?
The InChIKey is MPSTXQNYLFIQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3S/c1-14-4-7-17(8-5-14)29(27,28)25-21(11-15-3-2-10-23-22(15)25)19-13-24-20-9-6-16(26)12-18(19)20/h2-13,24,26H,1H3.
What are the key properties of 3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]-1H-indol-5-ol?
3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]-1H-indol-5-ol has a molecular weight of 403.46 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]-1H-indol-5-ol is sourced from PubChem (CID 22477556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).