N-(3-nitrophenyl)sulfonylpyridine-2-carboxamide

C12H9N3O5S — CID 167827408

IUPACN-(3-nitrophenyl)sulfonylpyridine-2-carboxamide
SMILESO=C(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccn1
InChIInChI=1S/C12H9N3O5S/c16-12(11-6-1-2-7-13-11)14-21(19,20)10-5-3-4-9(8-10)15(17)18/h1-8H,(H,14,16)
InChIKeyYCWWTDLODFCZGB-UHFFFAOYSA-N
MW307.29 g/mol
LogP1.11
Rot. Bonds4

About N-(3-nitrophenyl)sulfonylpyridine-2-carboxamide

N-(3-nitrophenyl)sulfonylpyridine-2-carboxamide (PubChem CID 167827408) has the molecular formula C12H9N3O5S and a molecular weight of 307.29 g/mol. Its IUPAC name is N-(3-nitrophenyl)sulfonylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-nitrophenyl)sulfonylpyridine-2-carboxamide
PubChem CID167827408
Molecular FormulaC12H9N3O5S
Molecular Weight307.29 g/mol
Exact Mass307.03
IUPAC NameN-(3-nitrophenyl)sulfonylpyridine-2-carboxamide
SMILESO=C(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccn1
InChIInChI=1S/C12H9N3O5S/c16-12(11-6-1-2-7-13-11)14-21(19,20)10-5-3-4-9(8-10)15(17)18/h1-8H,(H,14,16)
InChIKeyYCWWTDLODFCZGB-UHFFFAOYSA-N
XLogP1.11
TPSA119.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.29
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(3-nitrophenyl)sulfonylpyridine-2-carboxamide 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'-(4-nitrophenyl)sulfonylpyridine-2-carbohydrazide
CID 17368436
3-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 172813710
N'-(benzenesulfonyl)-3-nitrobenzenesulfonohydrazide
CID 100974954
N-[4-[(3-nitrophenyl)sulfonylamino]phenyl]sulfonylbenzamide
CID 22772942
3-nitro-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 110724474
N-(4-chlorophenyl)sulfonyl-3-nitrobenzamide
CID 3445302
N-[(E)-1-(3-nitrophenyl)ethylideneamino]pyridine-2-carboxamide
CID 5334715
N-[4-[(4-methyl-3-nitrophenyl)sulfonylamino]phenyl]pyridine-2-carboxamide
CID 4838891
N-(2-hydroxy-2-methylpropyl)-3-nitrobenzenesulfonamide
CID 65112756
3-nitro-N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]benzamide
CID 27662135
silver 3-nitrobenzenesulfonate
CID 139842266
N-(3-hydroxy-2-pyridinyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 18109617

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)sulfonylpyridine-2-carboxamide?
The IUPAC name of N-(3-nitrophenyl)sulfonylpyridine-2-carboxamide (CID 167827408) is N-(3-nitrophenyl)sulfonylpyridine-2-carboxamide.
What is the SMILES notation for N-(3-nitrophenyl)sulfonylpyridine-2-carboxamide?
The canonical SMILES for N-(3-nitrophenyl)sulfonylpyridine-2-carboxamide is O=C(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccn1.
What is the InChIKey of N-(3-nitrophenyl)sulfonylpyridine-2-carboxamide?
The InChIKey is YCWWTDLODFCZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O5S/c16-12(11-6-1-2-7-13-11)14-21(19,20)10-5-3-4-9(8-10)15(17)18/h1-8H,(H,14,16).
What are the key properties of N-(3-nitrophenyl)sulfonylpyridine-2-carboxamide?
N-(3-nitrophenyl)sulfonylpyridine-2-carboxamide has a molecular weight of 307.29 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)sulfonylpyridine-2-carboxamide is sourced from PubChem (CID 167827408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).