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

C6H4F3N3O4S — CID 133104372

IUPAC3-(difluoromethyl)-4-fluoro-5-nitropyridine-2-sulfonamide
SMILESNS(=O)(=O)c1ncc([N+](=O)[O-])c(F)c1C(F)F
InChIInChI=1S/C6H4F3N3O4S/c7-4-2(12(13)14)1-11-6(17(10,15)16)3(4)5(8)9/h1,5H,(H2,10,15,16)
InChIKeyKSYKWSDSRIICDG-UHFFFAOYSA-N
MW271.18 g/mol
LogP0.71
Rot. Bonds3

About 3-(difluoromethyl)-4-fluoro-5-nitropyridine-2-sulfonamide

3-(difluoromethyl)-4-fluoro-5-nitropyridine-2-sulfonamide (PubChem CID 133104372) has the molecular formula C6H4F3N3O4S and a molecular weight of 271.18 g/mol. Its IUPAC name is 3-(difluoromethyl)-4-fluoro-5-nitropyridine-2-sulfonamide.

Molecular Properties

Compound Name3-(difluoromethyl)-4-fluoro-5-nitropyridine-2-sulfonamide
PubChem CID133104372
Molecular FormulaC6H4F3N3O4S
Molecular Weight271.18 g/mol
Exact Mass270.99
IUPAC Name3-(difluoromethyl)-4-fluoro-5-nitropyridine-2-sulfonamide
SMILESNS(=O)(=O)c1ncc([N+](=O)[O-])c(F)c1C(F)F
InChIInChI=1S/C6H4F3N3O4S/c7-4-2(12(13)14)1-11-6(17(10,15)16)3(4)5(8)9/h1,5H,(H2,10,15,16)
InChIKeyKSYKWSDSRIICDG-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(difluoromethyl)-4-methoxy-5-nitropyridine-2-sulfonamide
CID 133087554
3-(difluoromethyl)-4,5-difluoropyridine-2-sulfonamide
CID 118840960
4-(difluoromethyl)-5-hydroxy-3-nitropyridine-2-sulfonamide
CID 118801115
5-chloro-3-(difluoromethyl)-4-fluoropyridine-2-sulfonamide
CID 134674493
5-chloro-4-(difluoromethyl)-3-nitropyridine-2-sulfonamide
CID 134685598
5-bromo-4-(difluoromethyl)-3-fluoropyridine-2-sulfonamide
CID 130109962
4-chloro-3-(difluoromethyl)-5-fluoropyridine-2-sulfonamide
CID 118810599
3-bromo-5-(difluoromethyl)-4-nitropyridine-2-sulfonamide
CID 134685338
5-methyl-3-nitropyridine-2-sulfonamide
CID 19378728
4-(difluoromethyl)-2-fluoro-3-iodo-5-nitropyridine
CID 118845695
4-cyano-2-(difluoromethyl)-5-nitropyridine-3-sulfonamide
CID 118833926
[4-bromo-3-(difluoromethyl)-5-nitro-2-pyridinyl]methanamine
CID 118848230

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4-fluoro-5-nitropyridine-2-sulfonamide?
The IUPAC name of 3-(difluoromethyl)-4-fluoro-5-nitropyridine-2-sulfonamide (CID 133104372) is 3-(difluoromethyl)-4-fluoro-5-nitropyridine-2-sulfonamide.
What is the SMILES notation for 3-(difluoromethyl)-4-fluoro-5-nitropyridine-2-sulfonamide?
The canonical SMILES for 3-(difluoromethyl)-4-fluoro-5-nitropyridine-2-sulfonamide is NS(=O)(=O)c1ncc([N+](=O)[O-])c(F)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-4-fluoro-5-nitropyridine-2-sulfonamide?
The InChIKey is KSYKWSDSRIICDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3N3O4S/c7-4-2(12(13)14)1-11-6(17(10,15)16)3(4)5(8)9/h1,5H,(H2,10,15,16).
What are the key properties of 3-(difluoromethyl)-4-fluoro-5-nitropyridine-2-sulfonamide?
3-(difluoromethyl)-4-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 3-(difluoromethyl)-4-fluoro-5-nitropyridine-2-sulfonamide is sourced from PubChem (CID 133104372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).