(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate

C16H13FN4O5S — CID 7954315

IUPAC(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate
SMILESO=C(CNS(=O)(=O)c1ccc(F)cc1)OCn1nnc2ccccc2c1=O
InChIInChI=1S/C16H13FN4O5S/c17-11-5-7-12(8-6-11)27(24,25)18-9-15(22)26-10-21-16(23)13-3-1-2-4-14(13)19-20-21/h1-8,18H,9-10H2
InChIKeyRRLRUMNMFDIOPA-UHFFFAOYSA-N
MW392.37 g/mol
LogP0.41
Rot. Bonds6

About (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate

(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate (PubChem CID 7954315) has the molecular formula C16H13FN4O5S and a molecular weight of 392.37 g/mol. Its IUPAC name is (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate
PubChem CID7954315
Molecular FormulaC16H13FN4O5S
Molecular Weight392.37 g/mol
Exact Mass392.06
IUPAC Name(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate
SMILESO=C(CNS(=O)(=O)c1ccc(F)cc1)OCn1nnc2ccccc2c1=O
InChIInChI=1S/C16H13FN4O5S/c17-11-5-7-12(8-6-11)27(24,25)18-9-15(22)26-10-21-16(23)13-3-1-2-4-14(13)19-20-21/h1-8,18H,9-10H2
InChIKeyRRLRUMNMFDIOPA-UHFFFAOYSA-N
XLogP0.41
TPSA120.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate 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

(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 4567328
(4-oxo-1,2,3-benzotriazin-3-yl)methyl propanoate
CID 4524672
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(4-fluorophenyl)prop-2-enoate
CID 4023290
(4-fluorophenyl)methyl 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate
CID 38860250
(4-oxo-1,2,3-benzotriazin-3-yl)methyl pentanoate
CID 23770829
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoate
CID 46641533
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 9270857
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7755545
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-phenoxybutanoate
CID 2548793
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-[2-(methanesulfonamido)ethyl]benzoate
CID 166435569
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-methylbenzoate
CID 694208
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate
CID 38860823

Frequently Asked Questions

What is the IUPAC name of (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate?
The IUPAC name of (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate (CID 7954315) is (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate.
What is the SMILES notation for (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate?
The canonical SMILES for (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate is O=C(CNS(=O)(=O)c1ccc(F)cc1)OCn1nnc2ccccc2c1=O.
What is the InChIKey of (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate?
The InChIKey is RRLRUMNMFDIOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O5S/c17-11-5-7-12(8-6-11)27(24,25)18-9-15(22)26-10-21-16(23)13-3-1-2-4-14(13)19-20-21/h1-8,18H,9-10H2.
What are the key properties of (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate?
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate has a molecular weight of 392.37 g/mol, XLogP of 0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 7954315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).