2-chloro-N-(2-nitrophenyl)pyridine-4-sulfonamide

C11H8ClN3O4S — CID 61051817

IUPAC2-chloro-N-(2-nitrophenyl)pyridine-4-sulfonamide
SMILESO=[N+]([O-])c1ccccc1NS(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C11H8ClN3O4S/c12-11-7-8(5-6-13-11)20(18,19)14-9-3-1-2-4-10(9)15(16)17/h1-7,14H
InChIKeyRBVOWNUHMBBAGG-UHFFFAOYSA-N
MW313.72 g/mol
LogP2.44
Rot. Bonds4

About 2-chloro-N-(2-nitrophenyl)pyridine-4-sulfonamide

2-chloro-N-(2-nitrophenyl)pyridine-4-sulfonamide (PubChem CID 61051817) has the molecular formula C11H8ClN3O4S and a molecular weight of 313.72 g/mol. Its IUPAC name is 2-chloro-N-(2-nitrophenyl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-nitrophenyl)pyridine-4-sulfonamide
PubChem CID61051817
Molecular FormulaC11H8ClN3O4S
Molecular Weight313.72 g/mol
Exact Mass312.99
IUPAC Name2-chloro-N-(2-nitrophenyl)pyridine-4-sulfonamide
SMILESO=[N+]([O-])c1ccccc1NS(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C11H8ClN3O4S/c12-11-7-8(5-6-13-11)20(18,19)14-9-3-1-2-4-10(9)15(16)17/h1-7,14H
InChIKeyRBVOWNUHMBBAGG-UHFFFAOYSA-N
XLogP2.44
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.72
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(4-chloro-3-nitrophenyl)pyridine-4-sulfonamide
CID 61051683
N-(2-nitrophenyl)naphthalene-2-sulfonamide
CID 19203612
2-chloro-N-(2-methyl-5-nitrophenyl)pyridine-4-sulfonamide
CID 61051309
2-chloro-N-(2,3-difluorophenyl)pyridine-4-sulfonamide
CID 61076644
2-chloro-N-(3-chloro-2-methylphenyl)pyridine-4-sulfonamide
CID 54895530
2-nitro-N-(2-nitrophenyl)benzenesulfonamide
CID 2827773
5-chloro-1-methyl-N-(2-nitrophenyl)imidazole-4-sulfonamide
CID 61051631
4-(bromomethyl)-N-(2-nitrophenyl)benzenesulfonamide
CID 65481606
4-chloro-N-(2-methylphenyl)-3-nitrobenzenesulfonamide
CID 7593889
2-chloro-N-(2,5-difluorophenyl)pyridine-4-sulfonamide
CID 54895626
N-(2-chloro-3-nitrophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 87933653
N-[2-(benzenesulfonamido)-4,5-dinitrophenyl]benzenesulfonamide
CID 142740286

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-nitrophenyl)pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-(2-nitrophenyl)pyridine-4-sulfonamide (CID 61051817) is 2-chloro-N-(2-nitrophenyl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2-nitrophenyl)pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-(2-nitrophenyl)pyridine-4-sulfonamide is O=[N+]([O-])c1ccccc1NS(=O)(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-(2-nitrophenyl)pyridine-4-sulfonamide?
The InChIKey is RBVOWNUHMBBAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O4S/c12-11-7-8(5-6-13-11)20(18,19)14-9-3-1-2-4-10(9)15(16)17/h1-7,14H.
What are the key properties of 2-chloro-N-(2-nitrophenyl)pyridine-4-sulfonamide?
2-chloro-N-(2-nitrophenyl)pyridine-4-sulfonamide has a molecular weight of 313.72 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-nitrophenyl)pyridine-4-sulfonamide is sourced from PubChem (CID 61051817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).