3-oxo-N-(1,3-thiazol-2-yl)-4H-1,4-benzothiazine-6-sulfonamide

C11H9N3O3S3 — CID 110759474

IUPAC3-oxo-N-(1,3-thiazol-2-yl)-4H-1,4-benzothiazine-6-sulfonamide
SMILESO=C1CSc2ccc(S(=O)(=O)Nc3nccs3)cc2N1
InChIInChI=1S/C11H9N3O3S3/c15-10-6-19-9-2-1-7(5-8(9)13-10)20(16,17)14-11-12-3-4-18-11/h1-5H,6H2,(H,12,14)(H,13,15)
InChIKeyZKWSNJMEBYKSKB-UHFFFAOYSA-N
MW327.41 g/mol
LogP1.99
Rot. Bonds3

About 3-oxo-N-(1,3-thiazol-2-yl)-4H-1,4-benzothiazine-6-sulfonamide

3-oxo-N-(1,3-thiazol-2-yl)-4H-1,4-benzothiazine-6-sulfonamide (PubChem CID 110759474) has the molecular formula C11H9N3O3S3 and a molecular weight of 327.41 g/mol. Its IUPAC name is 3-oxo-N-(1,3-thiazol-2-yl)-4H-1,4-benzothiazine-6-sulfonamide.

Molecular Properties

Compound Name3-oxo-N-(1,3-thiazol-2-yl)-4H-1,4-benzothiazine-6-sulfonamide
PubChem CID110759474
Molecular FormulaC11H9N3O3S3
Molecular Weight327.41 g/mol
Exact Mass326.98
IUPAC Name3-oxo-N-(1,3-thiazol-2-yl)-4H-1,4-benzothiazine-6-sulfonamide
SMILESO=C1CSc2ccc(S(=O)(=O)Nc3nccs3)cc2N1
InChIInChI=1S/C11H9N3O3S3/c15-10-6-19-9-2-1-7(5-8(9)13-10)20(16,17)14-11-12-3-4-18-11/h1-5H,6H2,(H,12,14)(H,13,15)
InChIKeyZKWSNJMEBYKSKB-UHFFFAOYSA-N
XLogP1.99
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-oxo-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepine-7-sulfonamide
CID 110759128
3-oxo-N-(2,4,6-trimethylphenyl)-4H-1,4-benzothiazine-6-sulfonamide
CID 22550030
N-cyclooctyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 22550000
N-(3-fluorophenyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 110759476
3-oxo-N-(pyridin-4-ylmethyl)-4H-1,4-benzothiazine-6-sulfonamide
CID 110759458
N-(4-cyanophenyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 110759482
N-[3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonylamino]phenyl]acetamide
CID 45491872
N-benzyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 22550066
3-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzenesulfonamide
CID 110778775
3-oxo-N-(1-thiophen-2-ylpropyl)-4H-1,4-benzothiazine-6-sulfonamide
CID 22550073
3-amino-4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 43256868
3-amino-4-methoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 28509857

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(1,3-thiazol-2-yl)-4H-1,4-benzothiazine-6-sulfonamide?
The IUPAC name of 3-oxo-N-(1,3-thiazol-2-yl)-4H-1,4-benzothiazine-6-sulfonamide (CID 110759474) is 3-oxo-N-(1,3-thiazol-2-yl)-4H-1,4-benzothiazine-6-sulfonamide.
What is the SMILES notation for 3-oxo-N-(1,3-thiazol-2-yl)-4H-1,4-benzothiazine-6-sulfonamide?
The canonical SMILES for 3-oxo-N-(1,3-thiazol-2-yl)-4H-1,4-benzothiazine-6-sulfonamide is O=C1CSc2ccc(S(=O)(=O)Nc3nccs3)cc2N1.
What is the InChIKey of 3-oxo-N-(1,3-thiazol-2-yl)-4H-1,4-benzothiazine-6-sulfonamide?
The InChIKey is ZKWSNJMEBYKSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3S3/c15-10-6-19-9-2-1-7(5-8(9)13-10)20(16,17)14-11-12-3-4-18-11/h1-5H,6H2,(H,12,14)(H,13,15).
What are the key properties of 3-oxo-N-(1,3-thiazol-2-yl)-4H-1,4-benzothiazine-6-sulfonamide?
3-oxo-N-(1,3-thiazol-2-yl)-4H-1,4-benzothiazine-6-sulfonamide has a molecular weight of 327.41 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(1,3-thiazol-2-yl)-4H-1,4-benzothiazine-6-sulfonamide is sourced from PubChem (CID 110759474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).