5-cyano-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide

C7H4F2N4O4S — CID 134676606

IUPAC5-cyano-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide
SMILESN#Cc1cc(C(F)F)c(S(N)(=O)=O)nc1[N+](=O)[O-]
InChIInChI=1S/C7H4F2N4O4S/c8-5(9)4-1-3(2-10)6(13(14)15)12-7(4)18(11,16)17/h1,5H,(H2,11,16,17)
InChIKeyXQKUZNRTXWCOBT-UHFFFAOYSA-N
MW278.20 g/mol
LogP0.45
Rot. Bonds3

About 5-cyano-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide

5-cyano-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide (PubChem CID 134676606) has the molecular formula C7H4F2N4O4S and a molecular weight of 278.20 g/mol. Its IUPAC name is 5-cyano-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide
PubChem CID134676606
Molecular FormulaC7H4F2N4O4S
Molecular Weight278.20 g/mol
Exact Mass277.99
IUPAC Name5-cyano-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide
SMILESN#Cc1cc(C(F)F)c(S(N)(=O)=O)nc1[N+](=O)[O-]
InChIInChI=1S/C7H4F2N4O4S/c8-5(9)4-1-3(2-10)6(13(14)15)12-7(4)18(11,16)17/h1,5H,(H2,11,16,17)
InChIKeyXQKUZNRTXWCOBT-UHFFFAOYSA-N
XLogP0.45
TPSA139.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.20
LogP ≤ 50.45
H-Bond Donors ≤ 51
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-(difluoromethyl)-6-fluoro-2-nitropyridine-3-carbonitrile
CID 134685609
5-(difluoromethyl)-6-iodo-2-nitropyridine-3-carbonitrile
CID 130077265
3-bromo-5-(difluoromethyl)-6-nitropyridine-2-sulfonamide
CID 134684319
5-(difluoromethyl)-6-(hydroxymethyl)-2-nitropyridine-3-carbonitrile
CID 130078702
6-amino-5-(difluoromethyl)-2-nitropyridine-3-sulfonamide
CID 119011354
3-cyano-4-(difluoromethyl)-6-fluoropyridine-2-sulfonamide
CID 134685094
4-(difluoromethyl)-6-nitro-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 133107406
6-cyano-4-(difluoromethyl)-3-methoxypyridine-2-sulfonamide
CID 134664686
3-cyano-6-(difluoromethyl)-5-iodopyridine-2-sulfonamide
CID 130077820
5-amino-3-(difluoromethyl)-6-fluoropyridine-2-sulfonamide
CID 130104457
6-cyano-2-(difluoromethyl)-3-nitropyridine-4-sulfonamide
CID 134675468
3-(difluoromethyl)-6-fluoro-2-nitropyridine-4-carbonitrile
CID 134686625

Frequently Asked Questions

What is the IUPAC name of 5-cyano-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide?
The IUPAC name of 5-cyano-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide (CID 134676606) is 5-cyano-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide.
What is the SMILES notation for 5-cyano-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide?
The canonical SMILES for 5-cyano-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide is N#Cc1cc(C(F)F)c(S(N)(=O)=O)nc1[N+](=O)[O-].
What is the InChIKey of 5-cyano-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide?
The InChIKey is XQKUZNRTXWCOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2N4O4S/c8-5(9)4-1-3(2-10)6(13(14)15)12-7(4)18(11,16)17/h1,5H,(H2,11,16,17).
What are the key properties of 5-cyano-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide?
5-cyano-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide has a molecular weight of 278.20 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide is sourced from PubChem (CID 134676606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).