N-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-7-sulfonamide

C12H15N3O4S2 — CID 5086095

IUPACN-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-7-sulfonamide
SMILESO=C1CSc2cc(S(=O)(=O)NN3CCOCC3)ccc2N1
InChIInChI=1S/C12H15N3O4S2/c16-12-8-20-11-7-9(1-2-10(11)13-12)21(17,18)14-15-3-5-19-6-4-15/h1-2,7,14H,3-6,8H2,(H,13,16)
InChIKeyAXABELRJGBDYIN-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.26
Rot. Bonds3

About N-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-7-sulfonamide

N-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-7-sulfonamide (PubChem CID 5086095) has the molecular formula C12H15N3O4S2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-7-sulfonamide.

Molecular Properties

Compound NameN-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-7-sulfonamide
PubChem CID5086095
Molecular FormulaC12H15N3O4S2
Molecular Weight329.40 g/mol
Exact Mass329.05
IUPAC NameN-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-7-sulfonamide
SMILESO=C1CSc2cc(S(=O)(=O)NN3CCOCC3)ccc2N1
InChIInChI=1S/C12H15N3O4S2/c16-12-8-20-11-7-9(1-2-10(11)13-12)21(17,18)14-15-3-5-19-6-4-15/h1-2,7,14H,3-6,8H2,(H,13,16)
InChIKeyAXABELRJGBDYIN-UHFFFAOYSA-N
XLogP0.26
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethyl-N-morpholin-4-ylbenzenesulfonamide
CID 19682522
N-butyl-3-oxo-4H-1,4-benzothiazine-7-sulfonamide
CID 126458806
3-cyano-N-morpholin-4-ylbenzenesulfonamide
CID 83015557
N-(2-methylcyclohexyl)-3-oxo-4H-1,4-benzothiazine-7-sulfonamide
CID 126457755
4-tert-butyl-N-morpholin-4-ylbenzenesulfonamide
CID 19682519
3-oxo-N-(2,4,6-trimethylphenyl)-4H-1,4-benzothiazine-6-sulfonamide
CID 22550030
4-(aminomethyl)-3-methyl-N-morpholin-4-ylbenzenesulfonamide
CID 106919541
4-[hydroxy(oxido)amino]-N-morpholin-4-ylbenzenesulfonamide
CID 21139487
2-ethyl-5-(morpholin-4-ylsulfamoyl)benzoic acid
CID 83004105
6-(methylamino)-N-morpholin-4-ylpyridine-3-sulfonamide
CID 83023693
3-(aminomethyl)-N-morpholin-4-ylbenzenesulfonamide
CID 83014024
N-cyclooctyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 22550000

Frequently Asked Questions

What is the IUPAC name of N-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-7-sulfonamide?
The IUPAC name of N-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-7-sulfonamide (CID 5086095) is N-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-7-sulfonamide.
What is the SMILES notation for N-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-7-sulfonamide?
The canonical SMILES for N-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-7-sulfonamide is O=C1CSc2cc(S(=O)(=O)NN3CCOCC3)ccc2N1.
What is the InChIKey of N-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-7-sulfonamide?
The InChIKey is AXABELRJGBDYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S2/c16-12-8-20-11-7-9(1-2-10(11)13-12)21(17,18)14-15-3-5-19-6-4-15/h1-2,7,14H,3-6,8H2,(H,13,16).
What are the key properties of N-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-7-sulfonamide?
N-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-7-sulfonamide has a molecular weight of 329.40 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-7-sulfonamide is sourced from PubChem (CID 5086095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).