3-(difluoromethyl)-5-nitro-6-oxo-1H-pyridine-2-sulfonamide

C6H5F2N3O5S — CID 133102990

IUPAC3-(difluoromethyl)-5-nitro-6-oxo-1H-pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1[nH]c(=O)c([N+](=O)[O-])cc1C(F)F
InChIInChI=1S/C6H5F2N3O5S/c7-4(8)2-1-3(11(13)14)5(12)10-6(2)17(9,15)16/h1,4H,(H,10,12)(H2,9,15,16)
InChIKeyOGFXINMNFLDDCW-UHFFFAOYSA-N
MW269.19 g/mol
LogP-0.13
Rot. Bonds3

About 3-(difluoromethyl)-5-nitro-6-oxo-1H-pyridine-2-sulfonamide

3-(difluoromethyl)-5-nitro-6-oxo-1H-pyridine-2-sulfonamide (PubChem CID 133102990) has the molecular formula C6H5F2N3O5S and a molecular weight of 269.19 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-nitro-6-oxo-1H-pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-(difluoromethyl)-5-nitro-6-oxo-1H-pyridine-2-sulfonamide
PubChem CID133102990
Molecular FormulaC6H5F2N3O5S
Molecular Weight269.19 g/mol
Exact Mass268.99
IUPAC Name3-(difluoromethyl)-5-nitro-6-oxo-1H-pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1[nH]c(=O)c([N+](=O)[O-])cc1C(F)F
InChIInChI=1S/C6H5F2N3O5S/c7-4(8)2-1-3(11(13)14)5(12)10-6(2)17(9,15)16/h1,4H,(H,10,12)(H2,9,15,16)
InChIKeyOGFXINMNFLDDCW-UHFFFAOYSA-N
XLogP-0.13
TPSA136.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 5-0.13
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

5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-sulfonamide
CID 130110666
6-(aminomethyl)-5-(difluoromethyl)-3-nitro-1H-pyridin-2-one
CID 118802906
5-(difluoromethyl)-3-nitro-6-(trifluoromethyl)-1H-pyridin-2-one
CID 133102983
3-(difluoromethyl)-6-methoxy-5-nitro-1H-pyridin-2-one
CID 130083169
3-(difluoromethyl)-5-nitropyridine-4-sulfonamide
CID 134670330
5-bromo-3-(difluoromethyl)-6-nitro-1H-pyridin-2-one
CID 130110143
4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-sulfonamide
CID 118818505
6-amino-5-(difluoromethyl)-2-nitropyridine-3-sulfonamide
CID 119011354
6-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonamide
CID 130072899
3-(difluoromethyl)-6-nitro-4-oxo-1H-pyridine-2-sulfonyl chloride
CID 131337929
4-(difluoromethyl)-6-nitropyridine-3-sulfonamide
CID 118852112
6-chloro-5-(difluoromethyl)-3-nitropyridin-2-amine
CID 119012355

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-nitro-6-oxo-1H-pyridine-2-sulfonamide?
The IUPAC name of 3-(difluoromethyl)-5-nitro-6-oxo-1H-pyridine-2-sulfonamide (CID 133102990) is 3-(difluoromethyl)-5-nitro-6-oxo-1H-pyridine-2-sulfonamide.
What is the SMILES notation for 3-(difluoromethyl)-5-nitro-6-oxo-1H-pyridine-2-sulfonamide?
The canonical SMILES for 3-(difluoromethyl)-5-nitro-6-oxo-1H-pyridine-2-sulfonamide is NS(=O)(=O)c1[nH]c(=O)c([N+](=O)[O-])cc1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-5-nitro-6-oxo-1H-pyridine-2-sulfonamide?
The InChIKey is OGFXINMNFLDDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2N3O5S/c7-4(8)2-1-3(11(13)14)5(12)10-6(2)17(9,15)16/h1,4H,(H,10,12)(H2,9,15,16).
What are the key properties of 3-(difluoromethyl)-5-nitro-6-oxo-1H-pyridine-2-sulfonamide?
3-(difluoromethyl)-5-nitro-6-oxo-1H-pyridine-2-sulfonamide has a molecular weight of 269.19 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-nitro-6-oxo-1H-pyridine-2-sulfonamide is sourced from PubChem (CID 133102990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).