3-amino-6-(2-bromophenyl)sulfanyl-5-chloro-1,3-dihydroindol-2-one

C14H10BrClN2OS — CID 79335923

IUPAC3-amino-6-(2-bromophenyl)sulfanyl-5-chloro-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(Sc3ccccc3Br)c(Cl)cc21
InChIInChI=1S/C14H10BrClN2OS/c15-8-3-1-2-4-11(8)20-12-6-10-7(5-9(12)16)13(17)14(19)18-10/h1-6,13H,17H2,(H,18,19)
InChIKeyJYJYWOXCGZEBAH-UHFFFAOYSA-N
MW369.67 g/mol
LogP4.21
Rot. Bonds2

About 3-amino-6-(2-bromophenyl)sulfanyl-5-chloro-1,3-dihydroindol-2-one

3-amino-6-(2-bromophenyl)sulfanyl-5-chloro-1,3-dihydroindol-2-one (PubChem CID 79335923) has the molecular formula C14H10BrClN2OS and a molecular weight of 369.67 g/mol. Its IUPAC name is 3-amino-6-(2-bromophenyl)sulfanyl-5-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-6-(2-bromophenyl)sulfanyl-5-chloro-1,3-dihydroindol-2-one
PubChem CID79335923
Molecular FormulaC14H10BrClN2OS
Molecular Weight369.67 g/mol
Exact Mass367.94
IUPAC Name3-amino-6-(2-bromophenyl)sulfanyl-5-chloro-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(Sc3ccccc3Br)c(Cl)cc21
InChIInChI=1S/C14H10BrClN2OS/c15-8-3-1-2-4-11(8)20-12-6-10-7(5-9(12)16)13(17)14(19)18-10/h1-6,13H,17H2,(H,18,19)
InChIKeyJYJYWOXCGZEBAH-UHFFFAOYSA-N
XLogP4.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.67
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-6-(2-bromophenyl)sulfanyl-5-chloro-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-5-bromo-6-methylsulfanyl-1,3-dihydroindol-2-one
CID 79342600
3-amino-5-chloro-6-(2,3-dihydroxypropylsulfanyl)-1,3-dihydroindol-2-one
CID 79682179
3-amino-5-chloro-6-(3-fluoro-N-methylanilino)-1,3-dihydroindol-2-one
CID 79343637
3-amino-5-chloro-6-(N,3-dimethylanilino)-1,3-dihydroindol-2-one
CID 79343633
3-amino-6-(4-bromo-2-fluorophenoxy)-5-chloro-1,3-dihydroindol-2-one
CID 79344513
3-amino-5-bromo-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one
CID 79344004
3-amino-5-chloro-6-(2-methylphenoxy)-1,3-dihydroindol-2-one;hydrochloride
CID 122157091
3-amino-5-bromo-6-(2-methoxyethylsulfanyl)-1,3-dihydroindol-2-one
CID 79345087
3-amino-5-chloro-6-(2,5-dichlorophenoxy)-1,3-dihydroindol-2-one
CID 79344344
5-chloro-3-(methylamino)-6-pyridin-2-ylsulfanyl-1,3-dihydroindol-2-one
CID 79335855
3-amino-5-bromo-6-(thiophen-2-ylmethoxy)-1,3-dihydroindol-2-one
CID 79342834
5-chloro-6-(4-fluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one
CID 79336076

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2-bromophenyl)sulfanyl-5-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-6-(2-bromophenyl)sulfanyl-5-chloro-1,3-dihydroindol-2-one (CID 79335923) is 3-amino-6-(2-bromophenyl)sulfanyl-5-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-6-(2-bromophenyl)sulfanyl-5-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-6-(2-bromophenyl)sulfanyl-5-chloro-1,3-dihydroindol-2-one is NC1C(=O)Nc2cc(Sc3ccccc3Br)c(Cl)cc21.
What is the InChIKey of 3-amino-6-(2-bromophenyl)sulfanyl-5-chloro-1,3-dihydroindol-2-one?
The InChIKey is JYJYWOXCGZEBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2OS/c15-8-3-1-2-4-11(8)20-12-6-10-7(5-9(12)16)13(17)14(19)18-10/h1-6,13H,17H2,(H,18,19).
What are the key properties of 3-amino-6-(2-bromophenyl)sulfanyl-5-chloro-1,3-dihydroindol-2-one?
3-amino-6-(2-bromophenyl)sulfanyl-5-chloro-1,3-dihydroindol-2-one has a molecular weight of 369.67 g/mol, XLogP of 4.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2-bromophenyl)sulfanyl-5-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 79335923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).