2-nitro-N-pyridin-3-ylbenzenesulfonamide

C11H9N3O4S — CID 2164527

IUPAC2-nitro-N-pyridin-3-ylbenzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccnc1
InChIInChI=1S/C11H9N3O4S/c15-14(16)10-5-1-2-6-11(10)19(17,18)13-9-4-3-7-12-8-9/h1-8,13H
InChIKeySXYPIRRJAYPWJM-UHFFFAOYSA-N
MW279.28 g/mol
LogP1.79
Rot. Bonds4

About 2-nitro-N-pyridin-3-ylbenzenesulfonamide

2-nitro-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 2164527) has the molecular formula C11H9N3O4S and a molecular weight of 279.28 g/mol. Its IUPAC name is 2-nitro-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-nitro-N-pyridin-3-ylbenzenesulfonamide
PubChem CID2164527
Molecular FormulaC11H9N3O4S
Molecular Weight279.28 g/mol
Exact Mass279.03
IUPAC Name2-nitro-N-pyridin-3-ylbenzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccnc1
InChIInChI=1S/C11H9N3O4S/c15-14(16)10-5-1-2-6-11(10)19(17,18)13-9-4-3-7-12-8-9/h1-8,13H
InChIKeySXYPIRRJAYPWJM-UHFFFAOYSA-N
XLogP1.79
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 2-nitro-N-pyridin-3-ylbenzenesulfonamide (CID 2164527) is 2-nitro-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 2-nitro-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 2-nitro-N-pyridin-3-ylbenzenesulfonamide is O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccnc1.
What is the InChIKey of 2-nitro-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is SXYPIRRJAYPWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O4S/c15-14(16)10-5-1-2-6-11(10)19(17,18)13-9-4-3-7-12-8-9/h1-8,13H.
What are the key properties of 2-nitro-N-pyridin-3-ylbenzenesulfonamide?
2-nitro-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 279.28 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 2164527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).