4,5-dihydrobenzo[e][1,2,3]benzothiadiazole-8-sulfonamide

C10H9N3O2S2 — CID 11777759

IUPAC4,5-dihydrobenzo[e][1,2,3]benzothiadiazole-8-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)-c1nnsc1CC2
InChIInChI=1S/C10H9N3O2S2/c11-17(14,15)7-3-1-6-2-4-9-10(8(6)5-7)12-13-16-9/h1,3,5H,2,4H2,(H2,11,14,15)
InChIKeyCMJJGPROXKSBGC-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.95
Rot. Bonds1

About 4,5-dihydrobenzo[e][1,2,3]benzothiadiazole-8-sulfonamide

4,5-dihydrobenzo[e][1,2,3]benzothiadiazole-8-sulfonamide (PubChem CID 11777759) has the molecular formula C10H9N3O2S2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4,5-dihydrobenzo[e][1,2,3]benzothiadiazole-8-sulfonamide.

Molecular Properties

Compound Name4,5-dihydrobenzo[e][1,2,3]benzothiadiazole-8-sulfonamide
PubChem CID11777759
Molecular FormulaC10H9N3O2S2
Molecular Weight267.33 g/mol
Exact Mass267.01
IUPAC Name4,5-dihydrobenzo[e][1,2,3]benzothiadiazole-8-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)-c1nnsc1CC2
InChIInChI=1S/C10H9N3O2S2/c11-17(14,15)7-3-1-6-2-4-9-10(8(6)5-7)12-13-16-9/h1,3,5H,2,4H2,(H2,11,14,15)
InChIKeyCMJJGPROXKSBGC-UHFFFAOYSA-N
XLogP0.95
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydrobenzo[e][1,2,3]benzothiadiazole-8-sulfonamide?
The IUPAC name of 4,5-dihydrobenzo[e][1,2,3]benzothiadiazole-8-sulfonamide (CID 11777759) is 4,5-dihydrobenzo[e][1,2,3]benzothiadiazole-8-sulfonamide.
What is the SMILES notation for 4,5-dihydrobenzo[e][1,2,3]benzothiadiazole-8-sulfonamide?
The canonical SMILES for 4,5-dihydrobenzo[e][1,2,3]benzothiadiazole-8-sulfonamide is NS(=O)(=O)c1ccc2c(c1)-c1nnsc1CC2.
What is the InChIKey of 4,5-dihydrobenzo[e][1,2,3]benzothiadiazole-8-sulfonamide?
The InChIKey is CMJJGPROXKSBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S2/c11-17(14,15)7-3-1-6-2-4-9-10(8(6)5-7)12-13-16-9/h1,3,5H,2,4H2,(H2,11,14,15).
What are the key properties of 4,5-dihydrobenzo[e][1,2,3]benzothiadiazole-8-sulfonamide?
4,5-dihydrobenzo[e][1,2,3]benzothiadiazole-8-sulfonamide has a molecular weight of 267.33 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydrobenzo[e][1,2,3]benzothiadiazole-8-sulfonamide is sourced from PubChem (CID 11777759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).