N-[3-(methylsulfonylmethyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

C17H16N4O4S — CID 52795640

IUPACN-[3-(methylsulfonylmethyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESCS(=O)(=O)Cc1cccc(NC(=O)Cn2nnc3ccccc3c2=O)c1
InChIInChI=1S/C17H16N4O4S/c1-26(24,25)11-12-5-4-6-13(9-12)18-16(22)10-21-17(23)14-7-2-3-8-15(14)19-20-21/h2-9H,10-11H2,1H3,(H,18,22)
InChIKeyKFTLNYVBEHXOQQ-UHFFFAOYSA-N
MW372.41 g/mol
LogP0.97
Rot. Bonds5

About N-[3-(methylsulfonylmethyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

N-[3-(methylsulfonylmethyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (PubChem CID 52795640) has the molecular formula C17H16N4O4S and a molecular weight of 372.41 g/mol. Its IUPAC name is N-[3-(methylsulfonylmethyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-(methylsulfonylmethyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
PubChem CID52795640
Molecular FormulaC17H16N4O4S
Molecular Weight372.41 g/mol
Exact Mass372.09
IUPAC NameN-[3-(methylsulfonylmethyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESCS(=O)(=O)Cc1cccc(NC(=O)Cn2nnc3ccccc3c2=O)c1
InChIInChI=1S/C17H16N4O4S/c1-26(24,25)11-12-5-4-6-13(9-12)18-16(22)10-21-17(23)14-7-2-3-8-15(14)19-20-21/h2-9H,10-11H2,1H3,(H,18,22)
InChIKeyKFTLNYVBEHXOQQ-UHFFFAOYSA-N
XLogP0.97
TPSA111.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-(methylsulfonylmethyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-bromophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2695518
N-(9,10-dioxoanthracen-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 38934566
N-(4-anilinophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 46554459
N-(3,5-difluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 27055170
N-(3-chloro-4-methylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2550571
N-(2-methylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 9354097
N-(4-tert-butylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 7919313
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26465780
N-(5-acetamido-2-methylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 55691997
N-(2,6-dichlorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2714538
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

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylsulfonylmethyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The IUPAC name of N-[3-(methylsulfonylmethyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (CID 52795640) is N-[3-(methylsulfonylmethyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.
What is the SMILES notation for N-[3-(methylsulfonylmethyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The canonical SMILES for N-[3-(methylsulfonylmethyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is CS(=O)(=O)Cc1cccc(NC(=O)Cn2nnc3ccccc3c2=O)c1.
What is the InChIKey of N-[3-(methylsulfonylmethyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The InChIKey is KFTLNYVBEHXOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S/c1-26(24,25)11-12-5-4-6-13(9-12)18-16(22)10-21-17(23)14-7-2-3-8-15(14)19-20-21/h2-9H,10-11H2,1H3,(H,18,22).
What are the key properties of N-[3-(methylsulfonylmethyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
N-[3-(methylsulfonylmethyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide has a molecular weight of 372.41 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylsulfonylmethyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is sourced from PubChem (CID 52795640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).