3-(3-hydroxy-3-methylindol-2-yl)-5-(4-hydroxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one

C22H23N3O5S — CID 91898889

IUPAC3-(3-hydroxy-3-methylindol-2-yl)-5-(4-hydroxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one
SMILESCC1(O)C(C2C(=O)Nc3ccc(S(=O)(=O)N4CCC(O)CC4)cc32)=Nc2ccccc21
InChIInChI=1S/C22H23N3O5S/c1-22(28)16-4-2-3-5-18(16)23-20(22)19-15-12-14(6-7-17(15)24-21(19)27)31(29,30)25-10-8-13(26)9-11-25/h2-7,12-13,19,26,28H,8-11H2,1H3,(H,24,27)
InChIKeyJBUUDGRWYDNRAN-UHFFFAOYSA-N
MW441.51 g/mol
LogP1.86
Rot. Bonds3

About 3-(3-hydroxy-3-methylindol-2-yl)-5-(4-hydroxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one

3-(3-hydroxy-3-methylindol-2-yl)-5-(4-hydroxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one (PubChem CID 91898889) has the molecular formula C22H23N3O5S and a molecular weight of 441.51 g/mol. Its IUPAC name is 3-(3-hydroxy-3-methylindol-2-yl)-5-(4-hydroxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(3-hydroxy-3-methylindol-2-yl)-5-(4-hydroxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one
PubChem CID91898889
Molecular FormulaC22H23N3O5S
Molecular Weight441.51 g/mol
Exact Mass441.14
IUPAC Name3-(3-hydroxy-3-methylindol-2-yl)-5-(4-hydroxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one
SMILESCC1(O)C(C2C(=O)Nc3ccc(S(=O)(=O)N4CCC(O)CC4)cc32)=Nc2ccccc21
InChIInChI=1S/C22H23N3O5S/c1-22(28)16-4-2-3-5-18(16)23-20(22)19-15-12-14(6-7-17(15)24-21(19)27)31(29,30)25-10-8-13(26)9-11-25/h2-7,12-13,19,26,28H,8-11H2,1H3,(H,24,27)
InChIKeyJBUUDGRWYDNRAN-UHFFFAOYSA-N
XLogP1.86
TPSA119.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-(3-hydroxy-3-methylindol-2-yl)-5-(4-hydroxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-3-methylindol-2-yl)-5-(4-hydroxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-(3-hydroxy-3-methylindol-2-yl)-5-(4-hydroxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one (CID 91898889) is 3-(3-hydroxy-3-methylindol-2-yl)-5-(4-hydroxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(3-hydroxy-3-methylindol-2-yl)-5-(4-hydroxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(3-hydroxy-3-methylindol-2-yl)-5-(4-hydroxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one is CC1(O)C(C2C(=O)Nc3ccc(S(=O)(=O)N4CCC(O)CC4)cc32)=Nc2ccccc21.
What is the InChIKey of 3-(3-hydroxy-3-methylindol-2-yl)-5-(4-hydroxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one?
The InChIKey is JBUUDGRWYDNRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S/c1-22(28)16-4-2-3-5-18(16)23-20(22)19-15-12-14(6-7-17(15)24-21(19)27)31(29,30)25-10-8-13(26)9-11-25/h2-7,12-13,19,26,28H,8-11H2,1H3,(H,24,27).
What are the key properties of 3-(3-hydroxy-3-methylindol-2-yl)-5-(4-hydroxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one?
3-(3-hydroxy-3-methylindol-2-yl)-5-(4-hydroxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one has a molecular weight of 441.51 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-3-methylindol-2-yl)-5-(4-hydroxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 91898889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).