4-(4-oxo-1,2,3-benzotriazin-3-yl)benzenesulfonamide

C13H10N4O3S — CID 163197003

IUPAC4-(4-oxo-1,2,3-benzotriazin-3-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nnc3ccccc3c2=O)cc1
InChIInChI=1S/C13H10N4O3S/c14-21(19,20)10-7-5-9(6-8-10)17-13(18)11-3-1-2-4-12(11)15-16-17/h1-8H,(H2,14,19,20)
InChIKeyRZAHGBXFGPUXJW-UHFFFAOYSA-N
MW302.31 g/mol
LogP0.43
Rot. Bonds2

About 4-(4-oxo-1,2,3-benzotriazin-3-yl)benzenesulfonamide

4-(4-oxo-1,2,3-benzotriazin-3-yl)benzenesulfonamide (PubChem CID 163197003) has the molecular formula C13H10N4O3S and a molecular weight of 302.31 g/mol. Its IUPAC name is 4-(4-oxo-1,2,3-benzotriazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-oxo-1,2,3-benzotriazin-3-yl)benzenesulfonamide
PubChem CID163197003
Molecular FormulaC13H10N4O3S
Molecular Weight302.31 g/mol
Exact Mass302.05
IUPAC Name4-(4-oxo-1,2,3-benzotriazin-3-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nnc3ccccc3c2=O)cc1
InChIInChI=1S/C13H10N4O3S/c14-21(19,20)10-7-5-9(6-8-10)17-13(18)11-3-1-2-4-12(11)15-16-17/h1-8H,(H2,14,19,20)
InChIKeyRZAHGBXFGPUXJW-UHFFFAOYSA-N
XLogP0.43
TPSA107.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-Sulfamoyl-phenyl)-benzamide
CID 721954
2-[methyl(methylsulfonyl)amino]-N-[4-(1-piperidinylsulfonyl)phenyl]benzamide
CID 1228113
N-(2-methylphenyl)-2-[methyl(phenylsulfonyl)amino]benzamide
CID 1006749
2-(Benzenesulfonamido)benzamide
CID 807904
N-(4-((2-Benzoylanilino)sulfonyl)phenyl)acetamide
CID 4227718
3-Phenyl-1,2,3-benzotriazin-4(3H)-one
CID 273219
4-fluoro-N-(4-sulfamoylphenyl)benzamide
CID 684981
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[methyl(phenylsulfonyl)amino]benzamide
CID 1019170
N-benzyl-N-methyl-2-[methyl(phenylsulfonyl)amino]benzamide
CID 24208190
2-[Methyl(phenylsulfonyl)amino]benzamide
CID 900524
2-nitro-N-(4-sulfamoylphenyl)benzamide
CID 468894
2-[Benzyl(phenylsulfonyl)amino]benzamide
CID 1203978

Frequently Asked Questions

What is the IUPAC name of 4-(4-oxo-1,2,3-benzotriazin-3-yl)benzenesulfonamide?
The IUPAC name of 4-(4-oxo-1,2,3-benzotriazin-3-yl)benzenesulfonamide (CID 163197003) is 4-(4-oxo-1,2,3-benzotriazin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(4-oxo-1,2,3-benzotriazin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(4-oxo-1,2,3-benzotriazin-3-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nnc3ccccc3c2=O)cc1.
What is the InChIKey of 4-(4-oxo-1,2,3-benzotriazin-3-yl)benzenesulfonamide?
The InChIKey is RZAHGBXFGPUXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3S/c14-21(19,20)10-7-5-9(6-8-10)17-13(18)11-3-1-2-4-12(11)15-16-17/h1-8H,(H2,14,19,20).
What are the key properties of 4-(4-oxo-1,2,3-benzotriazin-3-yl)benzenesulfonamide?
4-(4-oxo-1,2,3-benzotriazin-3-yl)benzenesulfonamide has a molecular weight of 302.31 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxo-1,2,3-benzotriazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 163197003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).