N-benzyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide

C15H14N2O3S2 — CID 22550066

IUPACN-benzyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
SMILESO=C1CSc2ccc(S(=O)(=O)NCc3ccccc3)cc2N1
InChIInChI=1S/C15H14N2O3S2/c18-15-10-21-14-7-6-12(8-13(14)17-15)22(19,20)16-9-11-4-2-1-3-5-11/h1-8,16H,9-10H2,(H,17,18)
InChIKeyDWFNPBBZGJKHHK-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.21
Rot. Bonds4

About N-benzyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide

N-benzyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide (PubChem CID 22550066) has the molecular formula C15H14N2O3S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-benzyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide.

Molecular Properties

Compound NameN-benzyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
PubChem CID22550066
Molecular FormulaC15H14N2O3S2
Molecular Weight334.42 g/mol
Exact Mass334.04
IUPAC NameN-benzyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
SMILESO=C1CSc2ccc(S(=O)(=O)NCc3ccccc3)cc2N1
InChIInChI=1S/C15H14N2O3S2/c18-15-10-21-14-7-6-12(8-13(14)17-15)22(19,20)16-9-11-4-2-1-3-5-11/h1-8,16H,9-10H2,(H,17,18)
InChIKeyDWFNPBBZGJKHHK-UHFFFAOYSA-N
XLogP2.21
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-oxo-N-(pyridin-4-ylmethyl)-4H-1,4-benzothiazine-6-sulfonamide
CID 110759458
2-methyl-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]benzenesulfonamide
CID 110784806
N-(3-fluorophenyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 110759476
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-butyl-3-oxo-4H-1,4-benzothiazine-7-sulfonamide
CID 126458806
3-oxo-N-(1-thiophen-2-ylpropyl)-4H-1,4-benzothiazine-6-sulfonamide
CID 22550073
N-[3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonylamino]phenyl]acetamide
CID 45491872
N-benzyl-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]-N-(2-phenylethyl)propanamide
CID 22551701
N-(4-cyanophenyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 110759482
3-oxo-N-(1,3-thiazol-2-yl)-4H-1,4-benzothiazine-6-sulfonamide
CID 110759474
6-[(2,6-dichlorophenyl)methylsulfonyl]-4H-1,4-benzothiazin-3-one
CID 90074925

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide?
The IUPAC name of N-benzyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide (CID 22550066) is N-benzyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide.
What is the SMILES notation for N-benzyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide?
The canonical SMILES for N-benzyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide is O=C1CSc2ccc(S(=O)(=O)NCc3ccccc3)cc2N1.
What is the InChIKey of N-benzyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide?
The InChIKey is DWFNPBBZGJKHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S2/c18-15-10-21-14-7-6-12(8-13(14)17-15)22(19,20)16-9-11-4-2-1-3-5-11/h1-8,16H,9-10H2,(H,17,18).
What are the key properties of N-benzyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide?
N-benzyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide has a molecular weight of 334.42 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide is sourced from PubChem (CID 22550066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).