2-oxo-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)-1,3-dihydroindole-5-sulfonamide

C12H10N6O3S2 — CID 110401819

IUPAC2-oxo-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)NCc3nn4cnnc4s3)ccc2N1
InChIInChI=1S/C12H10N6O3S2/c19-10-4-7-3-8(1-2-9(7)15-10)23(20,21)14-5-11-17-18-6-13-16-12(18)22-11/h1-3,6,14H,4-5H2,(H,15,19)
InChIKeyAXJBBVOJXWGMPL-UHFFFAOYSA-N
MW350.39 g/mol
LogP0.16
Rot. Bonds4

About 2-oxo-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)-1,3-dihydroindole-5-sulfonamide

2-oxo-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)-1,3-dihydroindole-5-sulfonamide (PubChem CID 110401819) has the molecular formula C12H10N6O3S2 and a molecular weight of 350.39 g/mol. Its IUPAC name is 2-oxo-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)-1,3-dihydroindole-5-sulfonamide
PubChem CID110401819
Molecular FormulaC12H10N6O3S2
Molecular Weight350.39 g/mol
Exact Mass350.03
IUPAC Name2-oxo-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)NCc3nn4cnnc4s3)ccc2N1
InChIInChI=1S/C12H10N6O3S2/c19-10-4-7-3-8(1-2-9(7)15-10)23(20,21)14-5-11-17-18-6-13-16-12(18)22-11/h1-3,6,14H,4-5H2,(H,15,19)
InChIKeyAXJBBVOJXWGMPL-UHFFFAOYSA-N
XLogP0.16
TPSA118.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydroindole-5-sulfonamide
CID 6624556
N-[(2,4-difluorophenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110782261
N-(3-aminopropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 28754114
N-[(4-chloro-2-fluorophenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 139975297
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110787143
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110716719
2-oxo-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-dihydroindole-5-sulfonamide
CID 110293482
3,4-dimethyl-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzenesulfonamide
CID 110401598
2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 112990517
2,5-dimethyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzenesulfonamide
CID 110401777
N-(4-chlorophenyl)-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]acetamide
CID 112997954
2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]oxyacetamide
CID 112673502

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of 2-oxo-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)-1,3-dihydroindole-5-sulfonamide (CID 110401819) is 2-oxo-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 2-oxo-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 2-oxo-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)-1,3-dihydroindole-5-sulfonamide is O=C1Cc2cc(S(=O)(=O)NCc3nn4cnnc4s3)ccc2N1.
What is the InChIKey of 2-oxo-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)-1,3-dihydroindole-5-sulfonamide?
The InChIKey is AXJBBVOJXWGMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O3S2/c19-10-4-7-3-8(1-2-9(7)15-10)23(20,21)14-5-11-17-18-6-13-16-12(18)22-11/h1-3,6,14H,4-5H2,(H,15,19).
What are the key properties of 2-oxo-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)-1,3-dihydroindole-5-sulfonamide?
2-oxo-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)-1,3-dihydroindole-5-sulfonamide has a molecular weight of 350.39 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 110401819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).