6-hydroxy-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide

C7H9N3O5S2 — CID 139596786

IUPAC6-hydroxy-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide
SMILESNS(=O)(=O)c1cc2c(cc1O)NCNS2(=O)=O
InChIInChI=1S/C7H9N3O5S2/c8-16(12,13)7-2-6-4(1-5(7)11)9-3-10-17(6,14)15/h1-2,9-11H,3H2,(H2,8,12,13)
InChIKeyQLCTWQHNZORGOV-UHFFFAOYSA-N
MW279.30 g/mol
LogP-1.30
Rot. Bonds1

About 6-hydroxy-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide

6-hydroxy-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide (PubChem CID 139596786) has the molecular formula C7H9N3O5S2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 6-hydroxy-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide.

Molecular Properties

Compound Name6-hydroxy-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide
PubChem CID139596786
Molecular FormulaC7H9N3O5S2
Molecular Weight279.30 g/mol
Exact Mass279.00
IUPAC Name6-hydroxy-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide
SMILESNS(=O)(=O)c1cc2c(cc1O)NCNS2(=O)=O
InChIInChI=1S/C7H9N3O5S2/c8-16(12,13)7-2-6-4(1-5(7)11)9-3-10-17(6,14)15/h1-2,9-11H,3H2,(H2,8,12,13)
InChIKeyQLCTWQHNZORGOV-UHFFFAOYSA-N
XLogP-1.30
TPSA138.59 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-1.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide?
The IUPAC name of 6-hydroxy-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide (CID 139596786) is 6-hydroxy-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide.
What is the SMILES notation for 6-hydroxy-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide?
The canonical SMILES for 6-hydroxy-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide is NS(=O)(=O)c1cc2c(cc1O)NCNS2(=O)=O.
What is the InChIKey of 6-hydroxy-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide?
The InChIKey is QLCTWQHNZORGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O5S2/c8-16(12,13)7-2-6-4(1-5(7)11)9-3-10-17(6,14)15/h1-2,9-11H,3H2,(H2,8,12,13).
What are the key properties of 6-hydroxy-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide?
6-hydroxy-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide has a molecular weight of 279.30 g/mol, XLogP of -1.30, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide is sourced from PubChem (CID 139596786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).