N-(2,2-difluoro-3-hydroxypropyl)-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide

C12H14F2N2O4S — CID 104858763

IUPACN-(2,2-difluoro-3-hydroxypropyl)-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCC1C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)CO)cc21
InChIInChI=1S/C12H14F2N2O4S/c1-7-9-4-8(2-3-10(9)16-11(7)18)21(19,20)15-5-12(13,14)6-17/h2-4,7,15,17H,5-6H2,1H3,(H,16,18)
InChIKeySKKBQYYNQYXYHG-UHFFFAOYSA-N
MW320.32 g/mol
LogP0.65
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxypropyl)-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide

N-(2,2-difluoro-3-hydroxypropyl)-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 104858763) has the molecular formula C12H14F2N2O4S and a molecular weight of 320.32 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID104858763
Molecular FormulaC12H14F2N2O4S
Molecular Weight320.32 g/mol
Exact Mass320.06
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCC1C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)CO)cc21
InChIInChI=1S/C12H14F2N2O4S/c1-7-9-4-8(2-3-10(9)16-11(7)18)21(19,20)15-5-12(13,14)6-17/h2-4,7,15,17H,5-6H2,1H3,(H,16,18)
InChIKeySKKBQYYNQYXYHG-UHFFFAOYSA-N
XLogP0.65
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2,2-difluoro-3-hydroxypropyl)-3-methyl-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 N-(2,2-difluoro-3-hydroxypropyl)-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 104858763) is N-(2,2-difluoro-3-hydroxypropyl)-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide is CC1C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)CO)cc21.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is SKKBQYYNQYXYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O4S/c1-7-9-4-8(2-3-10(9)16-11(7)18)21(19,20)15-5-12(13,14)6-17/h2-4,7,15,17H,5-6H2,1H3,(H,16,18).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
N-(2,2-difluoro-3-hydroxypropyl)-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 320.32 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 104858763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).