N-(2-methylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

C16H14N4O4S — CID 9354097

IUPACN-(2-methylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESCS(=O)(=O)c1ccccc1NC(=O)Cn1nnc2ccccc2c1=O
InChIInChI=1S/C16H14N4O4S/c1-25(23,24)14-9-5-4-8-13(14)17-15(21)10-20-16(22)11-6-2-3-7-12(11)18-19-20/h2-9H,10H2,1H3,(H,17,21)
InChIKeyVGFWLFYVDCISDP-UHFFFAOYSA-N
MW358.38 g/mol
LogP0.83
Rot. Bonds4

About N-(2-methylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

N-(2-methylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (PubChem CID 9354097) has the molecular formula C16H14N4O4S and a molecular weight of 358.38 g/mol. Its IUPAC name is N-(2-methylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
PubChem CID9354097
Molecular FormulaC16H14N4O4S
Molecular Weight358.38 g/mol
Exact Mass358.07
IUPAC NameN-(2-methylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESCS(=O)(=O)c1ccccc1NC(=O)Cn1nnc2ccccc2c1=O
InChIInChI=1S/C16H14N4O4S/c1-25(23,24)14-9-5-4-8-13(14)17-15(21)10-20-16(22)11-6-2-3-7-12(11)18-19-20/h2-9H,10H2,1H3,(H,17,21)
InChIKeyVGFWLFYVDCISDP-UHFFFAOYSA-N
XLogP0.83
TPSA111.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]benzoate
CID 2714539
3-[2-(2-methylsulfonylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 16611098
N-(1-methylindol-4-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 52899779
N-(4-tert-butylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 7919313
N-hydroxy-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 99984183
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylacetamide
CID 4904114
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 26977901
N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2714444
N-[3-(methylsulfonylmethyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 52795640
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 4839034
N-(5-acetamido-2-methylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 55691997
N-(4-anilinophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 46554459

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The IUPAC name of N-(2-methylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (CID 9354097) is N-(2-methylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.
What is the SMILES notation for N-(2-methylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The canonical SMILES for N-(2-methylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is CS(=O)(=O)c1ccccc1NC(=O)Cn1nnc2ccccc2c1=O.
What is the InChIKey of N-(2-methylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The InChIKey is VGFWLFYVDCISDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4S/c1-25(23,24)14-9-5-4-8-13(14)17-15(21)10-20-16(22)11-6-2-3-7-12(11)18-19-20/h2-9H,10H2,1H3,(H,17,21).
What are the key properties of N-(2-methylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
N-(2-methylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide has a molecular weight of 358.38 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is sourced from PubChem (CID 9354097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).