N-(4-chloro-3-nitrophenyl)-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide

C13H11ClN4O6S — CID 71455715

IUPACN-(4-chloro-3-nitrophenyl)-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide
SMILESNS(=O)(=O)c1cn(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1=O
InChIInChI=1S/C13H11ClN4O6S/c14-9-2-1-8(5-10(9)18(21)22)16-13(20)7-17-4-3-11(19)12(6-17)25(15,23)24/h1-6H,7H2,(H,16,20)(H2,15,23,24)
InChIKeyLRXCGFYOSHVODE-UHFFFAOYSA-N
MW386.77 g/mol
LogP0.70
Rot. Bonds5

About N-(4-chloro-3-nitrophenyl)-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide

N-(4-chloro-3-nitrophenyl)-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide (PubChem CID 71455715) has the molecular formula C13H11ClN4O6S and a molecular weight of 386.77 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide
PubChem CID71455715
Molecular FormulaC13H11ClN4O6S
Molecular Weight386.77 g/mol
Exact Mass386.01
IUPAC NameN-(4-chloro-3-nitrophenyl)-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide
SMILESNS(=O)(=O)c1cn(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1=O
InChIInChI=1S/C13H11ClN4O6S/c14-9-2-1-8(5-10(9)18(21)22)16-13(20)7-17-4-3-11(19)12(6-17)25(15,23)24/h1-6H,7H2,(H,16,20)(H2,15,23,24)
InChIKeyLRXCGFYOSHVODE-UHFFFAOYSA-N
XLogP0.70
TPSA154.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.77
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-chloro-3-nitrophenyl)-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide (CID 71455715) is N-(4-chloro-3-nitrophenyl)-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide is NS(=O)(=O)c1cn(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1=O.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide?
The InChIKey is LRXCGFYOSHVODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O6S/c14-9-2-1-8(5-10(9)18(21)22)16-13(20)7-17-4-3-11(19)12(6-17)25(15,23)24/h1-6H,7H2,(H,16,20)(H2,15,23,24).
What are the key properties of N-(4-chloro-3-nitrophenyl)-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide?
N-(4-chloro-3-nitrophenyl)-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide has a molecular weight of 386.77 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide is sourced from PubChem (CID 71455715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).