1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydroindole-5-sulfonamide

C21H18FN5O3S2 — CID 15951049

IUPAC1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydroindole-5-sulfonamide
SMILESC[C@H](C(=O)N1CCc2cc(S(=O)(=O)Nc3ncns3)ccc21)n1ccc2c(F)cccc21
InChIInChI=1S/C21H18FN5O3S2/c1-13(26-10-8-16-17(22)3-2-4-19(16)26)20(28)27-9-7-14-11-15(5-6-18(14)27)32(29,30)25-21-23-12-24-31-21/h2-6,8,10-13H,7,9H2,1H3,(H,23,24,25)/t13-/m1/s1
InChIKeyHADNHLVGGUOZHG-CYBMUJFWSA-N
MW471.54 g/mol
LogP3.58
Rot. Bonds5

About 1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydroindole-5-sulfonamide

1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 15951049) has the molecular formula C21H18FN5O3S2 and a molecular weight of 471.54 g/mol. Its IUPAC name is 1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydroindole-5-sulfonamide
PubChem CID15951049
Molecular FormulaC21H18FN5O3S2
Molecular Weight471.54 g/mol
Exact Mass471.08
IUPAC Name1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydroindole-5-sulfonamide
SMILESC[C@H](C(=O)N1CCc2cc(S(=O)(=O)Nc3ncns3)ccc21)n1ccc2c(F)cccc21
InChIInChI=1S/C21H18FN5O3S2/c1-13(26-10-8-16-17(22)3-2-4-19(16)26)20(28)27-9-7-14-11-15(5-6-18(14)27)32(29,30)25-21-23-12-24-31-21/h2-6,8,10-13H,7,9H2,1H3,(H,23,24,25)/t13-/m1/s1
InChIKeyHADNHLVGGUOZHG-CYBMUJFWSA-N
XLogP3.58
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-N-(1,2,4-thiadiazol-5-yl)-2,3-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 1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydroindole-5-sulfonamide (CID 15951049) is 1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydroindole-5-sulfonamide is C[C@H](C(=O)N1CCc2cc(S(=O)(=O)Nc3ncns3)ccc21)n1ccc2c(F)cccc21.
What is the InChIKey of 1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is HADNHLVGGUOZHG-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H18FN5O3S2/c1-13(26-10-8-16-17(22)3-2-4-19(16)26)20(28)27-9-7-14-11-15(5-6-18(14)27)32(29,30)25-21-23-12-24-31-21/h2-6,8,10-13H,7,9H2,1H3,(H,23,24,25)/t13-/m1/s1.
What are the key properties of 1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydroindole-5-sulfonamide?
1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 471.54 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 15951049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).