N-(2-methyl-3-nitrophenyl)-6-oxo-1H-pyridine-3-sulfonamide

C12H11N3O5S — CID 43629391

IUPACN-(2-methyl-3-nitrophenyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCc1c(NS(=O)(=O)c2ccc(=O)[nH]c2)cccc1[N+](=O)[O-]
InChIInChI=1S/C12H11N3O5S/c1-8-10(3-2-4-11(8)15(17)18)14-21(19,20)9-5-6-12(16)13-7-9/h2-7,14H,1H3,(H,13,16)
InChIKeyWIWVJIVTLZSCKG-UHFFFAOYSA-N
MW309.30 g/mol
LogP1.39
Rot. Bonds4

About N-(2-methyl-3-nitrophenyl)-6-oxo-1H-pyridine-3-sulfonamide

N-(2-methyl-3-nitrophenyl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 43629391) has the molecular formula C12H11N3O5S and a molecular weight of 309.30 g/mol. Its IUPAC name is N-(2-methyl-3-nitrophenyl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-methyl-3-nitrophenyl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID43629391
Molecular FormulaC12H11N3O5S
Molecular Weight309.30 g/mol
Exact Mass309.04
IUPAC NameN-(2-methyl-3-nitrophenyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCc1c(NS(=O)(=O)c2ccc(=O)[nH]c2)cccc1[N+](=O)[O-]
InChIInChI=1S/C12H11N3O5S/c1-8-10(3-2-4-11(8)15(17)18)14-21(19,20)9-5-6-12(16)13-7-9/h2-7,14H,1H3,(H,13,16)
InChIKeyWIWVJIVTLZSCKG-UHFFFAOYSA-N
XLogP1.39
TPSA122.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 51.39
H-Bond Donors ≤ 52
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

3-hydroxy-N-(2-methyl-3-nitrophenyl)benzenesulfonamide
CID 107810881
2-methyl-1-nitro-3-(sulfamoylamino)benzene
CID 112573289
N-(2,3-dichlorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629246
N-(2,3-difluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 61075597
5-bromo-3-methyl-N-(2-methyl-3-nitrophenyl)triazole-4-sulfonamide
CID 106467579
N-(2-ethyl-6-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629071
N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629227
N-(2-methyl-3-nitrophenyl)hydroxylamine
CID 5489549
N-(3-amino-2-methylphenyl)-2-nitrobenzenesulfonamide
CID 43605074
N-(3-chloro-1H-indol-7-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 22228579
N-[2-(methoxymethyl)phenyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 61249722
N-(5-cyano-3-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 61274022

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-nitrophenyl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-(2-methyl-3-nitrophenyl)-6-oxo-1H-pyridine-3-sulfonamide (CID 43629391) is N-(2-methyl-3-nitrophenyl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-methyl-3-nitrophenyl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-(2-methyl-3-nitrophenyl)-6-oxo-1H-pyridine-3-sulfonamide is Cc1c(NS(=O)(=O)c2ccc(=O)[nH]c2)cccc1[N+](=O)[O-].
What is the InChIKey of N-(2-methyl-3-nitrophenyl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is WIWVJIVTLZSCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O5S/c1-8-10(3-2-4-11(8)15(17)18)14-21(19,20)9-5-6-12(16)13-7-9/h2-7,14H,1H3,(H,13,16).
What are the key properties of N-(2-methyl-3-nitrophenyl)-6-oxo-1H-pyridine-3-sulfonamide?
N-(2-methyl-3-nitrophenyl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 309.30 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-nitrophenyl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 43629391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).