1-acetyl-5-chloro-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-6-sulfinamide

C13H12ClN3O2S2 — CID 145018701

IUPAC1-acetyl-5-chloro-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-6-sulfinamide
SMILESCC(=O)N1CCc2cc(Cl)c(S(=O)Nc3nccs3)cc21
InChIInChI=1S/C13H12ClN3O2S2/c1-8(18)17-4-2-9-6-10(14)12(7-11(9)17)21(19)16-13-15-3-5-20-13/h3,5-7H,2,4H2,1H3,(H,15,16)
InChIKeyHDEMTWDHYXODBB-UHFFFAOYSA-N
MW341.85 g/mol
LogP2.84
Rot. Bonds3

About 1-acetyl-5-chloro-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-6-sulfinamide

1-acetyl-5-chloro-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-6-sulfinamide (PubChem CID 145018701) has the molecular formula C13H12ClN3O2S2 and a molecular weight of 341.85 g/mol. Its IUPAC name is 1-acetyl-5-chloro-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-6-sulfinamide.

Molecular Properties

Compound Name1-acetyl-5-chloro-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-6-sulfinamide
PubChem CID145018701
Molecular FormulaC13H12ClN3O2S2
Molecular Weight341.85 g/mol
Exact Mass341.01
IUPAC Name1-acetyl-5-chloro-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-6-sulfinamide
SMILESCC(=O)N1CCc2cc(Cl)c(S(=O)Nc3nccs3)cc21
InChIInChI=1S/C13H12ClN3O2S2/c1-8(18)17-4-2-9-6-10(14)12(7-11(9)17)21(19)16-13-15-3-5-20-13/h3,5-7H,2,4H2,1H3,(H,15,16)
InChIKeyHDEMTWDHYXODBB-UHFFFAOYSA-N
XLogP2.84
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.85
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-acetyl-5-chloro-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-6-sulfinamide 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

1-acetyl-5-bromo-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-6-sulfinamide
CID 145018681
1-acetyl-5-chloro-N-pyridin-2-yl-2,3-dihydroindole-6-sulfinamide
CID 145018712
5-chloro-2-fluoro-4-[2-(1-methylpiperidin-4-yl)ethylamino]-N-(1,3-thiazol-2-yl)benzenesulfinamide
CID 166786071
1-(5,6-dihydrothieno[3,2-f]indol-7-yl)ethanone
CID 54513861
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-3-methyl-N-(1,3-thiazol-2-yl)butanamide
CID 5322974
1-acetyl-5-chloro-N-cyclohexyl-2,3-dihydroindole-6-sulfonamide
CID 118906205
1-acetyl-5-chloro-N-(5-methyl-2-pyridinyl)-2,3-dihydroindole-6-sulfonamide
CID 118906147
1-[2-(2,6-dichlorophenyl)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide
CID 59432922
5-chloro-2-fluoro-4-[4-[2-(hydroxymethyl)-1,4-diazepan-1-yl]butylamino]-N-(1,3-thiazol-2-yl)benzenesulfinamide
CID 155072684
4-[4-(2-aminoethylamino)butylamino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfinamide
CID 145336069
5-chloro-4-[4-(cyclopentylamino)butylamino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfinamide
CID 129257903
sodium 1-acetyl-2,3-dihydroindole-5-sulfinate
CID 114287127

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-chloro-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-6-sulfinamide?
The IUPAC name of 1-acetyl-5-chloro-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-6-sulfinamide (CID 145018701) is 1-acetyl-5-chloro-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-6-sulfinamide.
What is the SMILES notation for 1-acetyl-5-chloro-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-6-sulfinamide?
The canonical SMILES for 1-acetyl-5-chloro-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-6-sulfinamide is CC(=O)N1CCc2cc(Cl)c(S(=O)Nc3nccs3)cc21.
What is the InChIKey of 1-acetyl-5-chloro-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-6-sulfinamide?
The InChIKey is HDEMTWDHYXODBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2S2/c1-8(18)17-4-2-9-6-10(14)12(7-11(9)17)21(19)16-13-15-3-5-20-13/h3,5-7H,2,4H2,1H3,(H,15,16).
What are the key properties of 1-acetyl-5-chloro-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-6-sulfinamide?
1-acetyl-5-chloro-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-6-sulfinamide has a molecular weight of 341.85 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-chloro-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-6-sulfinamide is sourced from PubChem (CID 145018701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).