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

C6H5F2N3O4S — CID 134670330

IUPAC3-(difluoromethyl)-5-nitropyridine-4-sulfonamide
SMILESNS(=O)(=O)c1c(C(F)F)cncc1[N+](=O)[O-]
InChIInChI=1S/C6H5F2N3O4S/c7-6(8)3-1-10-2-4(11(12)13)5(3)16(9,14)15/h1-2,6H,(H2,9,14,15)
InChIKeyRSAXTGUAFJILBC-UHFFFAOYSA-N
MW253.19 g/mol
LogP0.57
Rot. Bonds3

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

3-(difluoromethyl)-5-nitropyridine-4-sulfonamide (PubChem CID 134670330) has the molecular formula C6H5F2N3O4S and a molecular weight of 253.19 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-nitropyridine-4-sulfonamide.

Molecular Properties

Compound Name3-(difluoromethyl)-5-nitropyridine-4-sulfonamide
PubChem CID134670330
Molecular FormulaC6H5F2N3O4S
Molecular Weight253.19 g/mol
Exact Mass253.00
IUPAC Name3-(difluoromethyl)-5-nitropyridine-4-sulfonamide
SMILESNS(=O)(=O)c1c(C(F)F)cncc1[N+](=O)[O-]
InChIInChI=1S/C6H5F2N3O4S/c7-6(8)3-1-10-2-4(11(12)13)5(3)16(9,14)15/h1-2,6H,(H2,9,14,15)
InChIKeyRSAXTGUAFJILBC-UHFFFAOYSA-N
XLogP0.57
TPSA116.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.19
LogP ≤ 50.57
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

5-(difluoromethyl)-2-methyl-4-nitropyridine-3-sulfonamide
CID 133098943
4-cyano-2-(difluoromethyl)-5-nitropyridine-3-sulfonamide
CID 118833926
4-(difluoromethyl)-5-nitropyridin-3-amine
CID 130094685
3-(difluoromethyl)-4-fluoro-5-nitropyridine-2-sulfonamide
CID 133104372
4-(difluoromethyl)-6-nitropyridine-3-sulfonamide
CID 118852112
3-(difluoromethyl)-5-nitro-6-oxo-1H-pyridine-2-sulfonamide
CID 133102990
3-bromo-5-(difluoromethyl)-4-nitropyridine-2-sulfonamide
CID 134685338
3-bromo-5-nitropyridine-4-carbaldehyde
CID 130966460
2-chloro-5-(difluoromethyl)-3-hydroxypyridine-4-sulfonamide
CID 119007831
3-(difluoromethyl)-5-fluoropyridine-4-sulfonyl chloride
CID 130096577
3-bromo-5-(difluoromethyl)-6-nitropyridine-2-sulfonamide
CID 134684319
6-amino-5-(difluoromethyl)-2-nitropyridine-3-sulfonamide
CID 119011354

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-nitropyridine-4-sulfonamide?
The IUPAC name of 3-(difluoromethyl)-5-nitropyridine-4-sulfonamide (CID 134670330) is 3-(difluoromethyl)-5-nitropyridine-4-sulfonamide.
What is the SMILES notation for 3-(difluoromethyl)-5-nitropyridine-4-sulfonamide?
The canonical SMILES for 3-(difluoromethyl)-5-nitropyridine-4-sulfonamide is NS(=O)(=O)c1c(C(F)F)cncc1[N+](=O)[O-].
What is the InChIKey of 3-(difluoromethyl)-5-nitropyridine-4-sulfonamide?
The InChIKey is RSAXTGUAFJILBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2N3O4S/c7-6(8)3-1-10-2-4(11(12)13)5(3)16(9,14)15/h1-2,6H,(H2,9,14,15).
What are the key properties of 3-(difluoromethyl)-5-nitropyridine-4-sulfonamide?
3-(difluoromethyl)-5-nitropyridine-4-sulfonamide has a molecular weight of 253.19 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-nitropyridine-4-sulfonamide is sourced from PubChem (CID 134670330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).