2-[5-(4-methylsulfonylphenyl)-3-pyridinyl]-1H-indol-5-ol

C20H16N2O3S — CID 56930047

IUPAC2-[5-(4-methylsulfonylphenyl)-3-pyridinyl]-1H-indol-5-ol
SMILESCS(=O)(=O)c1ccc(-c2cncc(-c3cc4cc(O)ccc4[nH]3)c2)cc1
InChIInChI=1S/C20H16N2O3S/c1-26(24,25)18-5-2-13(3-6-18)15-8-16(12-21-11-15)20-10-14-9-17(23)4-7-19(14)22-20/h2-12,22-23H,1H3
InChIKeyCCVLMTQZUQGOLJ-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.01
Rot. Bonds3

About 2-[5-(4-methylsulfonylphenyl)-3-pyridinyl]-1H-indol-5-ol

2-[5-(4-methylsulfonylphenyl)-3-pyridinyl]-1H-indol-5-ol (PubChem CID 56930047) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is 2-[5-(4-methylsulfonylphenyl)-3-pyridinyl]-1H-indol-5-ol.

Molecular Properties

Compound Name2-[5-(4-methylsulfonylphenyl)-3-pyridinyl]-1H-indol-5-ol
PubChem CID56930047
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC Name2-[5-(4-methylsulfonylphenyl)-3-pyridinyl]-1H-indol-5-ol
SMILESCS(=O)(=O)c1ccc(-c2cncc(-c3cc4cc(O)ccc4[nH]3)c2)cc1
InChIInChI=1S/C20H16N2O3S/c1-26(24,25)18-5-2-13(3-6-18)15-8-16(12-21-11-15)20-10-14-9-17(23)4-7-19(14)22-20/h2-12,22-23H,1H3
InChIKeyCCVLMTQZUQGOLJ-UHFFFAOYSA-N
XLogP4.01
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylsulfonylphenyl)-3-pyridinyl]-1H-indol-5-ol?
The IUPAC name of 2-[5-(4-methylsulfonylphenyl)-3-pyridinyl]-1H-indol-5-ol (CID 56930047) is 2-[5-(4-methylsulfonylphenyl)-3-pyridinyl]-1H-indol-5-ol.
What is the SMILES notation for 2-[5-(4-methylsulfonylphenyl)-3-pyridinyl]-1H-indol-5-ol?
The canonical SMILES for 2-[5-(4-methylsulfonylphenyl)-3-pyridinyl]-1H-indol-5-ol is CS(=O)(=O)c1ccc(-c2cncc(-c3cc4cc(O)ccc4[nH]3)c2)cc1.
What is the InChIKey of 2-[5-(4-methylsulfonylphenyl)-3-pyridinyl]-1H-indol-5-ol?
The InChIKey is CCVLMTQZUQGOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c1-26(24,25)18-5-2-13(3-6-18)15-8-16(12-21-11-15)20-10-14-9-17(23)4-7-19(14)22-20/h2-12,22-23H,1H3.
What are the key properties of 2-[5-(4-methylsulfonylphenyl)-3-pyridinyl]-1H-indol-5-ol?
2-[5-(4-methylsulfonylphenyl)-3-pyridinyl]-1H-indol-5-ol has a molecular weight of 364.43 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylsulfonylphenyl)-3-pyridinyl]-1H-indol-5-ol is sourced from PubChem (CID 56930047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).