4-nitro-2-pyridin-4-ylbenzenesulfonamide

C11H9N3O4S — CID 175942276

IUPAC4-nitro-2-pyridin-4-ylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccc([N+](=O)[O-])cc1-c1ccncc1
InChIInChI=1S/C11H9N3O4S/c12-19(17,18)11-2-1-9(14(15)16)7-10(11)8-3-5-13-6-4-8/h1-7H,(H2,12,17,18)
InChIKeyYMBBICSJRVTWFM-UHFFFAOYSA-N
MW279.28 g/mol
LogP1.30
Rot. Bonds3

About 4-nitro-2-pyridin-4-ylbenzenesulfonamide

4-nitro-2-pyridin-4-ylbenzenesulfonamide (PubChem CID 175942276) has the molecular formula C11H9N3O4S and a molecular weight of 279.28 g/mol. Its IUPAC name is 4-nitro-2-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-nitro-2-pyridin-4-ylbenzenesulfonamide
PubChem CID175942276
Molecular FormulaC11H9N3O4S
Molecular Weight279.28 g/mol
Exact Mass279.03
IUPAC Name4-nitro-2-pyridin-4-ylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccc([N+](=O)[O-])cc1-c1ccncc1
InChIInChI=1S/C11H9N3O4S/c12-19(17,18)11-2-1-9(14(15)16)7-10(11)8-3-5-13-6-4-8/h1-7H,(H2,12,17,18)
InChIKeyYMBBICSJRVTWFM-UHFFFAOYSA-N
XLogP1.30
TPSA116.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 51.30
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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Related Compounds

2-(methylamino)-4-nitrobenzenesulfonamide
CID 62144576
4-(2-methyl-5-nitrophenyl)benzenesulfonamide
CID 110453851
5-nitro-2-(1H-pyrazol-5-yl)benzenesulfonamide
CID 175751809
(2,4-dinitrophenyl)sulfonylazanide;yttrium
CID 58710597
4-(5-nitro-1-benzothiophen-3-yl)pyridine
CID 22462549
4-nitropyridine;hydrate
CID 132647818
2-(2-bromoethyl)-4-nitrobenzenesulfonamide
CID 150508996
2-(2-methyl-4-nitrophenyl)benzenesulfonamide
CID 154684688
3-fluoro-4-pyridin-4-ylbenzenesulfonamide
CID 131915526
2,4-dipyridin-4-ylbenzenesulfonyl chloride
CID 46316400
2-[(2-bromophenyl)methyl]-4-nitrobenzenesulfonamide
CID 175587812
4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]pyridine-3-sulfonamide;hydrochloride
CID 46704246

Frequently Asked Questions

What is the IUPAC name of 4-nitro-2-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of 4-nitro-2-pyridin-4-ylbenzenesulfonamide (CID 175942276) is 4-nitro-2-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for 4-nitro-2-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for 4-nitro-2-pyridin-4-ylbenzenesulfonamide is NS(=O)(=O)c1ccc([N+](=O)[O-])cc1-c1ccncc1.
What is the InChIKey of 4-nitro-2-pyridin-4-ylbenzenesulfonamide?
The InChIKey is YMBBICSJRVTWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O4S/c12-19(17,18)11-2-1-9(14(15)16)7-10(11)8-3-5-13-6-4-8/h1-7H,(H2,12,17,18).
What are the key properties of 4-nitro-2-pyridin-4-ylbenzenesulfonamide?
4-nitro-2-pyridin-4-ylbenzenesulfonamide has a molecular weight of 279.28 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-2-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 175942276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).