4-(difluoromethyl)-6-fluoro-5-nitropyridine-2-sulfonamide

C6H4F3N3O4S — CID 118807407

IUPAC4-(difluoromethyl)-6-fluoro-5-nitropyridine-2-sulfonamide
SMILESNS(=O)(=O)c1cc(C(F)F)c([N+](=O)[O-])c(F)n1
InChIInChI=1S/C6H4F3N3O4S/c7-5(8)2-1-3(17(10,15)16)11-6(9)4(2)12(13)14/h1,5H,(H2,10,15,16)
InChIKeyQIGIDSWBZSLAIB-UHFFFAOYSA-N
MW271.18 g/mol
LogP0.71
Rot. Bonds3

About 4-(difluoromethyl)-6-fluoro-5-nitropyridine-2-sulfonamide

4-(difluoromethyl)-6-fluoro-5-nitropyridine-2-sulfonamide (PubChem CID 118807407) has the molecular formula C6H4F3N3O4S and a molecular weight of 271.18 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-fluoro-5-nitropyridine-2-sulfonamide.

Molecular Properties

Compound Name4-(difluoromethyl)-6-fluoro-5-nitropyridine-2-sulfonamide
PubChem CID118807407
Molecular FormulaC6H4F3N3O4S
Molecular Weight271.18 g/mol
Exact Mass270.99
IUPAC Name4-(difluoromethyl)-6-fluoro-5-nitropyridine-2-sulfonamide
SMILESNS(=O)(=O)c1cc(C(F)F)c([N+](=O)[O-])c(F)n1
InChIInChI=1S/C6H4F3N3O4S/c7-5(8)2-1-3(17(10,15)16)11-6(9)4(2)12(13)14/h1,5H,(H2,10,15,16)
InChIKeyQIGIDSWBZSLAIB-UHFFFAOYSA-N
XLogP0.71
TPSA116.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.18
LogP ≤ 50.71
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'}

Analyze 4-(difluoromethyl)-6-fluoro-5-nitropyridine-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-4-(difluoromethyl)-5-nitropyridine-2-sulfonyl chloride
CID 131314338
5,6-diamino-4-(difluoromethyl)pyridine-2-sulfonamide
CID 118803869
4-bromo-5-(difluoromethyl)-6-nitropyridine-2-sulfonamide
CID 118834583
3-bromo-5-(difluoromethyl)-6-nitropyridine-2-sulfonamide
CID 134684319
6-amino-4-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride
CID 131269677
4-(difluoromethyl)-6-nitropyridine-3-sulfonamide
CID 118852112
methyl 2-[4-(difluoromethyl)-6-fluoro-5-nitro-2-pyridinyl]acetate
CID 133105164
6-amino-5-(difluoromethyl)-2-nitropyridine-3-sulfonamide
CID 119011354
3-bromo-5-(difluoromethyl)-4-nitropyridine-2-sulfonamide
CID 134685338
5-(difluoromethyl)-2-methyl-4-nitropyridine-3-sulfonamide
CID 133098943
4-(difluoromethyl)-5-iodo-6-methylpyridine-2-sulfonamide
CID 118840925
5-amino-3-(difluoromethyl)-6-fluoropyridine-2-sulfonamide
CID 130104457

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-fluoro-5-nitropyridine-2-sulfonamide?
The IUPAC name of 4-(difluoromethyl)-6-fluoro-5-nitropyridine-2-sulfonamide (CID 118807407) is 4-(difluoromethyl)-6-fluoro-5-nitropyridine-2-sulfonamide.
What is the SMILES notation for 4-(difluoromethyl)-6-fluoro-5-nitropyridine-2-sulfonamide?
The canonical SMILES for 4-(difluoromethyl)-6-fluoro-5-nitropyridine-2-sulfonamide is NS(=O)(=O)c1cc(C(F)F)c([N+](=O)[O-])c(F)n1.
What is the InChIKey of 4-(difluoromethyl)-6-fluoro-5-nitropyridine-2-sulfonamide?
The InChIKey is QIGIDSWBZSLAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3N3O4S/c7-5(8)2-1-3(17(10,15)16)11-6(9)4(2)12(13)14/h1,5H,(H2,10,15,16).
What are the key properties of 4-(difluoromethyl)-6-fluoro-5-nitropyridine-2-sulfonamide?
4-(difluoromethyl)-6-fluoro-5-nitropyridine-2-sulfonamide has a molecular weight of 271.18 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-fluoro-5-nitropyridine-2-sulfonamide is sourced from PubChem (CID 118807407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).