N-(1-hydroxy-2-methylbutan-2-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide

C14H20N2O4S — CID 64557415

IUPACN-(1-hydroxy-2-methylbutan-2-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
SMILESCCC(C)(CO)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C14H20N2O4S/c1-4-14(2,9-17)15-21(19,20)11-5-6-12-10(7-11)8-13(18)16(12)3/h5-7,15,17H,4,8-9H2,1-3H3
InChIKeyXSGJYCJORQAFLF-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.64
Rot. Bonds5

About N-(1-hydroxy-2-methylbutan-2-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide

N-(1-hydroxy-2-methylbutan-2-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide (PubChem CID 64557415) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylbutan-2-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylbutan-2-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
PubChem CID64557415
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-(1-hydroxy-2-methylbutan-2-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
SMILESCCC(C)(CO)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C14H20N2O4S/c1-4-14(2,9-17)15-21(19,20)11-5-6-12-10(7-11)8-13(18)16(12)3/h5-7,15,17H,4,8-9H2,1-3H3
InChIKeyXSGJYCJORQAFLF-UHFFFAOYSA-N
XLogP0.64
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-hydroxy-2-methylbutan-2-yl)-1-methyl-2-oxo-3H-indole-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 N-(1-hydroxy-2-methylbutan-2-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide (CID 64557415) is N-(1-hydroxy-2-methylbutan-2-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide.
What is the SMILES notation for N-(1-hydroxy-2-methylbutan-2-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The canonical SMILES for N-(1-hydroxy-2-methylbutan-2-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide is CCC(C)(CO)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2C.
What is the InChIKey of N-(1-hydroxy-2-methylbutan-2-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The InChIKey is XSGJYCJORQAFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-4-14(2,9-17)15-21(19,20)11-5-6-12-10(7-11)8-13(18)16(12)3/h5-7,15,17H,4,8-9H2,1-3H3.
What are the key properties of N-(1-hydroxy-2-methylbutan-2-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide?
N-(1-hydroxy-2-methylbutan-2-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide has a molecular weight of 312.39 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylbutan-2-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide is sourced from PubChem (CID 64557415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).