1-acetyl-N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-2,3-dihydroindole-5-sulfonamide

C15H16N6O3S2 — CID 110401180

IUPAC1-acetyl-N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NCc3nn4c(C)nnc4s3)ccc21
InChIInChI=1S/C15H16N6O3S2/c1-9-17-18-15-21(9)19-14(25-15)8-16-26(23,24)12-3-4-13-11(7-12)5-6-20(13)10(2)22/h3-4,7,16H,5-6,8H2,1-2H3
InChIKeyQDNYTJYKMVSZQG-UHFFFAOYSA-N
MW392.47 g/mol
LogP0.88
Rot. Bonds4

About 1-acetyl-N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 110401180) has the molecular formula C15H16N6O3S2 and a molecular weight of 392.47 g/mol. Its IUPAC name is 1-acetyl-N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID110401180
Molecular FormulaC15H16N6O3S2
Molecular Weight392.47 g/mol
Exact Mass392.07
IUPAC Name1-acetyl-N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NCc3nn4c(C)nnc4s3)ccc21
InChIInChI=1S/C15H16N6O3S2/c1-9-17-18-15-21(9)19-14(25-15)8-16-26(23,24)12-3-4-13-11(7-12)5-6-20(13)10(2)22/h3-4,7,16H,5-6,8H2,1-2H3
InChIKeyQDNYTJYKMVSZQG-UHFFFAOYSA-N
XLogP0.88
TPSA109.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-acetyl-N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-2,3-dihydroindole-5-sulfonamide with MolForge

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Related Compounds

1-acetyl-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 110714907
1-acetyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 46972328
1-acetyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 3640433
1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
CID 82088952
1-acetyl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 113081583
1-acetyl-N-[(2-propan-2-ylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 110671515
1-acetyl-2,3-dihydroindole-5-sulfonohydrazide
CID 43476939
1-acetyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 112504860
1-acetyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3236116
1-acetyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 26539719
1-acetyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 60539648
1-acetyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydroindole-5-sulfonamide
CID 112990869

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-2,3-dihydroindole-5-sulfonamide (CID 110401180) is 1-acetyl-N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-2,3-dihydroindole-5-sulfonamide is CC(=O)N1CCc2cc(S(=O)(=O)NCc3nn4c(C)nnc4s3)ccc21.
What is the InChIKey of 1-acetyl-N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is QDNYTJYKMVSZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O3S2/c1-9-17-18-15-21(9)19-14(25-15)8-16-26(23,24)12-3-4-13-11(7-12)5-6-20(13)10(2)22/h3-4,7,16H,5-6,8H2,1-2H3.
What are the key properties of 1-acetyl-N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 392.47 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 110401180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).