2-[(4-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]ethanesulfonamide

C10H12BrN3O3S — CID 43551820

IUPAC2-[(4-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]ethanesulfonamide
SMILESNS(=O)(=O)CCNC1C(=O)Nc2cccc(Br)c21
InChIInChI=1S/C10H12BrN3O3S/c11-6-2-1-3-7-8(6)9(10(15)14-7)13-4-5-18(12,16)17/h1-3,9,13H,4-5H2,(H,14,15)(H2,12,16,17)
InChIKeyBZNSGGHQKRIBKV-UHFFFAOYSA-N
MW334.20 g/mol
LogP0.32
Rot. Bonds4

About 2-[(4-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]ethanesulfonamide

2-[(4-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]ethanesulfonamide (PubChem CID 43551820) has the molecular formula C10H12BrN3O3S and a molecular weight of 334.20 g/mol. Its IUPAC name is 2-[(4-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(4-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]ethanesulfonamide
PubChem CID43551820
Molecular FormulaC10H12BrN3O3S
Molecular Weight334.20 g/mol
Exact Mass332.98
IUPAC Name2-[(4-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]ethanesulfonamide
SMILESNS(=O)(=O)CCNC1C(=O)Nc2cccc(Br)c21
InChIInChI=1S/C10H12BrN3O3S/c11-6-2-1-3-7-8(6)9(10(15)14-7)13-4-5-18(12,16)17/h1-3,9,13H,4-5H2,(H,14,15)(H2,12,16,17)
InChIKeyBZNSGGHQKRIBKV-UHFFFAOYSA-N
XLogP0.32
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(4-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]ethanesulfonamide 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 2-[(4-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[(4-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]ethanesulfonamide (CID 43551820) is 2-[(4-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(4-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(4-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]ethanesulfonamide is NS(=O)(=O)CCNC1C(=O)Nc2cccc(Br)c21.
What is the InChIKey of 2-[(4-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]ethanesulfonamide?
The InChIKey is BZNSGGHQKRIBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O3S/c11-6-2-1-3-7-8(6)9(10(15)14-7)13-4-5-18(12,16)17/h1-3,9,13H,4-5H2,(H,14,15)(H2,12,16,17).
What are the key properties of 2-[(4-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]ethanesulfonamide?
2-[(4-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]ethanesulfonamide has a molecular weight of 334.20 g/mol, XLogP of 0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]ethanesulfonamide is sourced from PubChem (CID 43551820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).