2-(benzenesulfonyl)-5-nitropyridine

C11H8N2O4S — CID 1477595

IUPAC2-(benzenesulfonyl)-5-nitropyridine
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)c2ccccc2)nc1
InChIInChI=1S/C11H8N2O4S/c14-13(15)9-6-7-11(12-8-9)18(16,17)10-4-2-1-3-5-10/h1-8H
InChIKeyNVIZNXXUBXUVGG-UHFFFAOYSA-N
MW264.26 g/mol
LogP1.82
Rot. Bonds3

About 2-(benzenesulfonyl)-5-nitropyridine

2-(benzenesulfonyl)-5-nitropyridine (PubChem CID 1477595) has the molecular formula C11H8N2O4S and a molecular weight of 264.26 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-5-nitropyridine.

Molecular Properties

Compound Name2-(benzenesulfonyl)-5-nitropyridine
PubChem CID1477595
Molecular FormulaC11H8N2O4S
Molecular Weight264.26 g/mol
Exact Mass264.02
IUPAC Name2-(benzenesulfonyl)-5-nitropyridine
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)c2ccccc2)nc1
InChIInChI=1S/C11H8N2O4S/c14-13(15)9-6-7-11(12-8-9)18(16,17)10-4-2-1-3-5-10/h1-8H
InChIKeyNVIZNXXUBXUVGG-UHFFFAOYSA-N
XLogP1.82
TPSA90.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 51.82
H-Bond Donors ≤ 50
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-(4-chloro-3-methylphenyl)sulfonyl-5-nitropyridine
CID 118230894
5-nitro-2-propan-2-ylsulfonylpyridine
CID 23537091
2-[(5-nitro-2-pyridinyl)sulfonyl]ethyl benzoate
CID 11522870
2-[2-[(5-nitro-2-pyridinyl)sulfonyl]ethyl]benzoic acid
CID 69066953
2-(2,4-dichloro-5-methylphenyl)sulfonyl-5-nitropyridine
CID 2799605
5-[(5-nitro-2-pyridinyl)sulfonyl]pentanoic acid
CID 69065694
[1-[(5-nitro-2-pyridinyl)sulfonyl]piperidin-4-yl]methanamine
CID 71644894
1-[1-(benzenesulfonyl)ethyl]-4-nitrobenzene
CID 4570430
1-nitro-4-[4-[4-(4-nitrophenyl)sulfanylphenyl]sulfonylphenyl]sulfanylbenzene
CID 71326517
(3S)-3-methyl-1-[(5-nitro-2-pyridinyl)sulfonyl]piperazine
CID 97163318
1-(4-nitrophenyl)sulfonylisoquinoline
CID 154248307
2-(5-nitro-2-pyridinyl)-2,2-diphenylacetamide
CID 11045860

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-5-nitropyridine?
The IUPAC name of 2-(benzenesulfonyl)-5-nitropyridine (CID 1477595) is 2-(benzenesulfonyl)-5-nitropyridine.
What is the SMILES notation for 2-(benzenesulfonyl)-5-nitropyridine?
The canonical SMILES for 2-(benzenesulfonyl)-5-nitropyridine is O=[N+]([O-])c1ccc(S(=O)(=O)c2ccccc2)nc1.
What is the InChIKey of 2-(benzenesulfonyl)-5-nitropyridine?
The InChIKey is NVIZNXXUBXUVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O4S/c14-13(15)9-6-7-11(12-8-9)18(16,17)10-4-2-1-3-5-10/h1-8H.
What are the key properties of 2-(benzenesulfonyl)-5-nitropyridine?
2-(benzenesulfonyl)-5-nitropyridine has a molecular weight of 264.26 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-5-nitropyridine is sourced from PubChem (CID 1477595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).