3-fluoro-N-(2-methyl-3-pyridinyl)-4-nitrobenzenesulfonamide

C12H10FN3O4S — CID 82847321

IUPAC3-fluoro-N-(2-methyl-3-pyridinyl)-4-nitrobenzenesulfonamide
SMILESCc1ncccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C12H10FN3O4S/c1-8-11(3-2-6-14-8)15-21(19,20)9-4-5-12(16(17)18)10(13)7-9/h2-7,15H,1H3
InChIKeyVWWIYJJWEPYDPI-UHFFFAOYSA-N
MW311.29 g/mol
LogP2.24
Rot. Bonds4

About 3-fluoro-N-(2-methyl-3-pyridinyl)-4-nitrobenzenesulfonamide

3-fluoro-N-(2-methyl-3-pyridinyl)-4-nitrobenzenesulfonamide (PubChem CID 82847321) has the molecular formula C12H10FN3O4S and a molecular weight of 311.29 g/mol. Its IUPAC name is 3-fluoro-N-(2-methyl-3-pyridinyl)-4-nitrobenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(2-methyl-3-pyridinyl)-4-nitrobenzenesulfonamide
PubChem CID82847321
Molecular FormulaC12H10FN3O4S
Molecular Weight311.29 g/mol
Exact Mass311.04
IUPAC Name3-fluoro-N-(2-methyl-3-pyridinyl)-4-nitrobenzenesulfonamide
SMILESCc1ncccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C12H10FN3O4S/c1-8-11(3-2-6-14-8)15-21(19,20)9-4-5-12(16(17)18)10(13)7-9/h2-7,15H,1H3
InChIKeyVWWIYJJWEPYDPI-UHFFFAOYSA-N
XLogP2.24
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 52.24
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

3-amino-5-fluoro-4-methyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 116791990
N-(3-chloropyrazin-2-yl)-3-fluoro-4-nitrobenzenesulfonamide
CID 102989939
3-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzenesulfonamide
CID 115869758
3-fluoro-N-(6-fluoro-3-pyridinyl)-4-nitrobenzenesulfonamide
CID 103871850
3-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)-4-nitrobenzenesulfonamide
CID 82843001
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-fluoro-4-nitrobenzenesulfonamide
CID 104620831
3-fluoro-N-(3-fluorophenyl)-4-nitrobenzenesulfonamide
CID 82813223
3-fluoro-4-nitro-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 82854963
3-amino-4-hydroxy-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 79042553
N-tert-butyl-3-fluoro-4-nitrobenzenesulfonamide
CID 82844200
4-bromo-N-(2-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 103709774
N-(3-chlorophenyl)-3-fluoro-4-nitrobenzenesulfonamide
CID 82813222

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-methyl-3-pyridinyl)-4-nitrobenzenesulfonamide?
The IUPAC name of 3-fluoro-N-(2-methyl-3-pyridinyl)-4-nitrobenzenesulfonamide (CID 82847321) is 3-fluoro-N-(2-methyl-3-pyridinyl)-4-nitrobenzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(2-methyl-3-pyridinyl)-4-nitrobenzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(2-methyl-3-pyridinyl)-4-nitrobenzenesulfonamide is Cc1ncccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1.
What is the InChIKey of 3-fluoro-N-(2-methyl-3-pyridinyl)-4-nitrobenzenesulfonamide?
The InChIKey is VWWIYJJWEPYDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O4S/c1-8-11(3-2-6-14-8)15-21(19,20)9-4-5-12(16(17)18)10(13)7-9/h2-7,15H,1H3.
What are the key properties of 3-fluoro-N-(2-methyl-3-pyridinyl)-4-nitrobenzenesulfonamide?
3-fluoro-N-(2-methyl-3-pyridinyl)-4-nitrobenzenesulfonamide has a molecular weight of 311.29 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-methyl-3-pyridinyl)-4-nitrobenzenesulfonamide is sourced from PubChem (CID 82847321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).