3-(3-hydroxy-3-methylindol-2-yl)-N,N-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide

C19H19N3O4S — CID 91898886

IUPAC3-(3-hydroxy-3-methylindol-2-yl)-N,N-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)C(C1=Nc3ccccc3C1(C)O)C(=O)N2
InChIInChI=1S/C19H19N3O4S/c1-19(24)13-6-4-5-7-15(13)20-17(19)16-12-10-11(27(25,26)22(2)3)8-9-14(12)21-18(16)23/h4-10,16,24H,1-3H3,(H,21,23)
InChIKeyRKGPCBJOAJDLDC-UHFFFAOYSA-N
MW385.45 g/mol
LogP1.97
Rot. Bonds3

About 3-(3-hydroxy-3-methylindol-2-yl)-N,N-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide

3-(3-hydroxy-3-methylindol-2-yl)-N,N-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 91898886) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 3-(3-hydroxy-3-methylindol-2-yl)-N,N-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name3-(3-hydroxy-3-methylindol-2-yl)-N,N-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID91898886
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name3-(3-hydroxy-3-methylindol-2-yl)-N,N-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)C(C1=Nc3ccccc3C1(C)O)C(=O)N2
InChIInChI=1S/C19H19N3O4S/c1-19(24)13-6-4-5-7-15(13)20-17(19)16-12-10-11(27(25,26)22(2)3)8-9-14(12)21-18(16)23/h4-10,16,24H,1-3H3,(H,21,23)
InChIKeyRKGPCBJOAJDLDC-UHFFFAOYSA-N
XLogP1.97
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(3-hydroxy-3-methylindol-2-yl)-N,N-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide 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)-N,N-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of 3-(3-hydroxy-3-methylindol-2-yl)-N,N-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 91898886) is 3-(3-hydroxy-3-methylindol-2-yl)-N,N-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 3-(3-hydroxy-3-methylindol-2-yl)-N,N-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 3-(3-hydroxy-3-methylindol-2-yl)-N,N-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide is CN(C)S(=O)(=O)c1ccc2c(c1)C(C1=Nc3ccccc3C1(C)O)C(=O)N2.
What is the InChIKey of 3-(3-hydroxy-3-methylindol-2-yl)-N,N-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is RKGPCBJOAJDLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-19(24)13-6-4-5-7-15(13)20-17(19)16-12-10-11(27(25,26)22(2)3)8-9-14(12)21-18(16)23/h4-10,16,24H,1-3H3,(H,21,23).
What are the key properties of 3-(3-hydroxy-3-methylindol-2-yl)-N,N-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
3-(3-hydroxy-3-methylindol-2-yl)-N,N-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 385.45 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-3-methylindol-2-yl)-N,N-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 91898886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).