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

C6H5F2N3O5S — CID 118801115

IUPAC4-(difluoromethyl)-5-hydroxy-3-nitropyridine-2-sulfonamide
SMILESNS(=O)(=O)c1ncc(O)c(C(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C6H5F2N3O5S/c7-5(8)3-2(12)1-10-6(17(9,15)16)4(3)11(13)14/h1,5,12H,(H2,9,15,16)
InChIKeyMBXNHBGWVHFJRE-UHFFFAOYSA-N
MW269.18 g/mol
LogP0.28
Rot. Bonds3

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

4-(difluoromethyl)-5-hydroxy-3-nitropyridine-2-sulfonamide (PubChem CID 118801115) has the molecular formula C6H5F2N3O5S and a molecular weight of 269.18 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-hydroxy-3-nitropyridine-2-sulfonamide.

Molecular Properties

Compound Name4-(difluoromethyl)-5-hydroxy-3-nitropyridine-2-sulfonamide
PubChem CID118801115
Molecular FormulaC6H5F2N3O5S
Molecular Weight269.18 g/mol
Exact Mass268.99
IUPAC Name4-(difluoromethyl)-5-hydroxy-3-nitropyridine-2-sulfonamide
SMILESNS(=O)(=O)c1ncc(O)c(C(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C6H5F2N3O5S/c7-5(8)3-2(12)1-10-6(17(9,15)16)4(3)11(13)14/h1,5,12H,(H2,9,15,16)
InChIKeyMBXNHBGWVHFJRE-UHFFFAOYSA-N
XLogP0.28
TPSA136.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-chloro-4-(difluoromethyl)-3-nitropyridine-2-sulfonamide
CID 134685598
3-(difluoromethyl)-4-fluoro-5-nitropyridine-2-sulfonamide
CID 133104372
6-amino-5-(difluoromethyl)-4-nitropyridin-3-ol
CID 119007909
3-bromo-5-(difluoromethyl)-4-nitropyridine-2-sulfonamide
CID 134685338
5-amino-4-(difluoromethyl)-6-nitropyridin-3-ol
CID 130104620
3-(difluoromethyl)-4-methoxy-5-nitropyridine-2-sulfonamide
CID 133087554
3-(difluoromethyl)-4,5-difluoropyridine-2-sulfonamide
CID 118840960
2-bromo-4-(difluoromethyl)-5-hydroxypyridine-3-sulfonamide
CID 118995756
5-(difluoromethyl)-3-hydroxypyridine-2-sulfonamide
CID 130097291
4-amino-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide
CID 118812167
5-(difluoromethyl)-2-methyl-4-nitropyridine-3-sulfonamide
CID 133098943
5-chloro-6-(difluoromethyl)-4-nitropyridin-3-ol
CID 130072355

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-hydroxy-3-nitropyridine-2-sulfonamide?
The IUPAC name of 4-(difluoromethyl)-5-hydroxy-3-nitropyridine-2-sulfonamide (CID 118801115) is 4-(difluoromethyl)-5-hydroxy-3-nitropyridine-2-sulfonamide.
What is the SMILES notation for 4-(difluoromethyl)-5-hydroxy-3-nitropyridine-2-sulfonamide?
The canonical SMILES for 4-(difluoromethyl)-5-hydroxy-3-nitropyridine-2-sulfonamide is NS(=O)(=O)c1ncc(O)c(C(F)F)c1[N+](=O)[O-].
What is the InChIKey of 4-(difluoromethyl)-5-hydroxy-3-nitropyridine-2-sulfonamide?
The InChIKey is MBXNHBGWVHFJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2N3O5S/c7-5(8)3-2(12)1-10-6(17(9,15)16)4(3)11(13)14/h1,5,12H,(H2,9,15,16).
What are the key properties of 4-(difluoromethyl)-5-hydroxy-3-nitropyridine-2-sulfonamide?
4-(difluoromethyl)-5-hydroxy-3-nitropyridine-2-sulfonamide has a molecular weight of 269.18 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-hydroxy-3-nitropyridine-2-sulfonamide is sourced from PubChem (CID 118801115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).