4-(2,3-dihydroindol-1-ylsulfonyl)-2,1,3-benzothiadiazole

C14H11N3O2S2 — CID 2823191

IUPAC4-(2,3-dihydroindol-1-ylsulfonyl)-2,1,3-benzothiadiazole
SMILESO=S(=O)(c1cccc2nsnc12)N1CCc2ccccc21
InChIInChI=1S/C14H11N3O2S2/c18-21(19,13-7-3-5-11-14(13)16-20-15-11)17-9-8-10-4-1-2-6-12(10)17/h1-7H,8-9H2
InChIKeyJAVLOGBQHADBOA-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.44
Rot. Bonds2

About 4-(2,3-dihydroindol-1-ylsulfonyl)-2,1,3-benzothiadiazole

4-(2,3-dihydroindol-1-ylsulfonyl)-2,1,3-benzothiadiazole (PubChem CID 2823191) has the molecular formula C14H11N3O2S2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-ylsulfonyl)-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-ylsulfonyl)-2,1,3-benzothiadiazole
PubChem CID2823191
Molecular FormulaC14H11N3O2S2
Molecular Weight317.39 g/mol
Exact Mass317.03
IUPAC Name4-(2,3-dihydroindol-1-ylsulfonyl)-2,1,3-benzothiadiazole
SMILESO=S(=O)(c1cccc2nsnc12)N1CCc2ccccc21
InChIInChI=1S/C14H11N3O2S2/c18-21(19,13-7-3-5-11-14(13)16-20-15-11)17-9-8-10-4-1-2-6-12(10)17/h1-7H,8-9H2
InChIKeyJAVLOGBQHADBOA-UHFFFAOYSA-N
XLogP2.44
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diazox_sulfon_A(36)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)-2,1,3-benzothiadiazole?
The IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)-2,1,3-benzothiadiazole (CID 2823191) is 4-(2,3-dihydroindol-1-ylsulfonyl)-2,1,3-benzothiadiazole.
What is the SMILES notation for 4-(2,3-dihydroindol-1-ylsulfonyl)-2,1,3-benzothiadiazole?
The canonical SMILES for 4-(2,3-dihydroindol-1-ylsulfonyl)-2,1,3-benzothiadiazole is O=S(=O)(c1cccc2nsnc12)N1CCc2ccccc21.
What is the InChIKey of 4-(2,3-dihydroindol-1-ylsulfonyl)-2,1,3-benzothiadiazole?
The InChIKey is JAVLOGBQHADBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S2/c18-21(19,13-7-3-5-11-14(13)16-20-15-11)17-9-8-10-4-1-2-6-12(10)17/h1-7H,8-9H2.
What are the key properties of 4-(2,3-dihydroindol-1-ylsulfonyl)-2,1,3-benzothiadiazole?
4-(2,3-dihydroindol-1-ylsulfonyl)-2,1,3-benzothiadiazole has a molecular weight of 317.39 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-ylsulfonyl)-2,1,3-benzothiadiazole is sourced from PubChem (CID 2823191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).