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

C11H12F2N2O4S — CID 106170365

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)NCC(F)(F)CO)ccc2N1
InChIInChI=1S/C11H12F2N2O4S/c12-11(13,6-16)5-14-20(18,19)8-1-2-9-7(3-8)4-10(17)15-9/h1-3,14,16H,4-6H2,(H,15,17)
InChIKeyBPMLHJBNEKEBSJ-UHFFFAOYSA-N
MW306.29 g/mol
LogP0.09
Rot. Bonds5

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

N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 106170365) has the molecular formula C11H12F2N2O4S and a molecular weight of 306.29 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID106170365
Molecular FormulaC11H12F2N2O4S
Molecular Weight306.29 g/mol
Exact Mass306.05
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)NCC(F)(F)CO)ccc2N1
InChIInChI=1S/C11H12F2N2O4S/c12-11(13,6-16)5-14-20(18,19)8-1-2-9-7(3-8)4-10(17)15-9/h1-3,14,16H,4-6H2,(H,15,17)
InChIKeyBPMLHJBNEKEBSJ-UHFFFAOYSA-N
XLogP0.09
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2,2-difluoro-3-hydroxypropyl)-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)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 106170365) is N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide is O=C1Cc2cc(S(=O)(=O)NCC(F)(F)CO)ccc2N1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is BPMLHJBNEKEBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O4S/c12-11(13,6-16)5-14-20(18,19)8-1-2-9-7(3-8)4-10(17)15-9/h1-3,14,16H,4-6H2,(H,15,17).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 306.29 g/mol, XLogP of 0.09, 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)-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 106170365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).