4'-amino-5-chloro-1',1'-dioxospiro[1H-indole-3,3'-2H-1,2,5-thiadiazole]-2-one

C9H7ClN4O3S — CID 137321300

IUPAC4'-amino-5-chloro-1',1'-dioxospiro[1H-indole-3,3'-2H-1,2,5-thiadiazole]-2-one
SMILESNC1=NS(=O)(=O)NC12C(=O)Nc1ccc(Cl)cc12
InChIInChI=1S/C9H7ClN4O3S/c10-4-1-2-6-5(3-4)9(8(15)12-6)7(11)13-18(16,17)14-9/h1-3,14H,(H2,11,13)(H,12,15)
InChIKeyBRMVAFPEIVXGIG-UHFFFAOYSA-N
MW286.70 g/mol
LogP-0.31
Rot. Bonds

About 4'-amino-5-chloro-1',1'-dioxospiro[1H-indole-3,3'-2H-1,2,5-thiadiazole]-2-one

4'-amino-5-chloro-1',1'-dioxospiro[1H-indole-3,3'-2H-1,2,5-thiadiazole]-2-one (PubChem CID 137321300) has the molecular formula C9H7ClN4O3S and a molecular weight of 286.70 g/mol. Its IUPAC name is 4'-amino-5-chloro-1',1'-dioxospiro[1H-indole-3,3'-2H-1,2,5-thiadiazole]-2-one.

Molecular Properties

Compound Name4'-amino-5-chloro-1',1'-dioxospiro[1H-indole-3,3'-2H-1,2,5-thiadiazole]-2-one
PubChem CID137321300
Molecular FormulaC9H7ClN4O3S
Molecular Weight286.70 g/mol
Exact Mass285.99
IUPAC Name4'-amino-5-chloro-1',1'-dioxospiro[1H-indole-3,3'-2H-1,2,5-thiadiazole]-2-one
SMILESNC1=NS(=O)(=O)NC12C(=O)Nc1ccc(Cl)cc12
InChIInChI=1S/C9H7ClN4O3S/c10-4-1-2-6-5(3-4)9(8(15)12-6)7(11)13-18(16,17)14-9/h1-3,14H,(H2,11,13)(H,12,15)
InChIKeyBRMVAFPEIVXGIG-UHFFFAOYSA-N
XLogP-0.31
TPSA113.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.70
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4'-amino-5-chloro-1',1'-dioxospiro[1H-indole-3,3'-2H-1,2,5-thiadiazole]-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

Frequently Asked Questions

What is the IUPAC name of 4'-amino-5-chloro-1',1'-dioxospiro[1H-indole-3,3'-2H-1,2,5-thiadiazole]-2-one?
The IUPAC name of 4'-amino-5-chloro-1',1'-dioxospiro[1H-indole-3,3'-2H-1,2,5-thiadiazole]-2-one (CID 137321300) is 4'-amino-5-chloro-1',1'-dioxospiro[1H-indole-3,3'-2H-1,2,5-thiadiazole]-2-one.
What is the SMILES notation for 4'-amino-5-chloro-1',1'-dioxospiro[1H-indole-3,3'-2H-1,2,5-thiadiazole]-2-one?
The canonical SMILES for 4'-amino-5-chloro-1',1'-dioxospiro[1H-indole-3,3'-2H-1,2,5-thiadiazole]-2-one is NC1=NS(=O)(=O)NC12C(=O)Nc1ccc(Cl)cc12.
What is the InChIKey of 4'-amino-5-chloro-1',1'-dioxospiro[1H-indole-3,3'-2H-1,2,5-thiadiazole]-2-one?
The InChIKey is BRMVAFPEIVXGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4O3S/c10-4-1-2-6-5(3-4)9(8(15)12-6)7(11)13-18(16,17)14-9/h1-3,14H,(H2,11,13)(H,12,15).
What are the key properties of 4'-amino-5-chloro-1',1'-dioxospiro[1H-indole-3,3'-2H-1,2,5-thiadiazole]-2-one?
4'-amino-5-chloro-1',1'-dioxospiro[1H-indole-3,3'-2H-1,2,5-thiadiazole]-2-one has a molecular weight of 286.70 g/mol, XLogP of -0.31, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-amino-5-chloro-1',1'-dioxospiro[1H-indole-3,3'-2H-1,2,5-thiadiazole]-2-one is sourced from PubChem (CID 137321300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).