6-cyano-2-(difluoromethyl)-3-nitropyridine-4-sulfonamide

C7H4F2N4O4S — CID 134675468

IUPAC6-cyano-2-(difluoromethyl)-3-nitropyridine-4-sulfonamide
SMILESN#Cc1cc(S(N)(=O)=O)c([N+](=O)[O-])c(C(F)F)n1
InChIInChI=1S/C7H4F2N4O4S/c8-7(9)5-6(13(14)15)4(18(11,16)17)1-3(2-10)12-5/h1,7H,(H2,11,16,17)
InChIKeyJATWWUJPWWJIDA-UHFFFAOYSA-N
MW278.20 g/mol
LogP0.45
Rot. Bonds3

About 6-cyano-2-(difluoromethyl)-3-nitropyridine-4-sulfonamide

6-cyano-2-(difluoromethyl)-3-nitropyridine-4-sulfonamide (PubChem CID 134675468) has the molecular formula C7H4F2N4O4S and a molecular weight of 278.20 g/mol. Its IUPAC name is 6-cyano-2-(difluoromethyl)-3-nitropyridine-4-sulfonamide.

Molecular Properties

Compound Name6-cyano-2-(difluoromethyl)-3-nitropyridine-4-sulfonamide
PubChem CID134675468
Molecular FormulaC7H4F2N4O4S
Molecular Weight278.20 g/mol
Exact Mass277.99
IUPAC Name6-cyano-2-(difluoromethyl)-3-nitropyridine-4-sulfonamide
SMILESN#Cc1cc(S(N)(=O)=O)c([N+](=O)[O-])c(C(F)F)n1
InChIInChI=1S/C7H4F2N4O4S/c8-7(9)5-6(13(14)15)4(18(11,16)17)1-3(2-10)12-5/h1,7H,(H2,11,16,17)
InChIKeyJATWWUJPWWJIDA-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

6-cyano-2-(difluoromethyl)-4-fluoropyridine-3-sulfonamide
CID 134686189
6-(aminomethyl)-2-(difluoromethyl)-3-nitropyridine-4-carbonitrile
CID 130078539
2-amino-5-cyano-6-(difluoromethyl)pyridine-3-sulfonamide
CID 119021912
4-bromo-6-cyano-3-(difluoromethyl)pyridine-2-sulfonamide
CID 118822647
5-amino-2-cyano-6-(difluoromethyl)pyridine-3-sulfonamide
CID 130103775
2-[6-amino-2-(difluoromethyl)-3-nitro-4-pyridinyl]acetonitrile
CID 130106902
4-amino-6-methyl-5-nitropyridine-2-carbonitrile
CID 164544737
5-cyano-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide
CID 134676606
4-cyano-2-(difluoromethyl)-5-nitropyridine-3-sulfonamide
CID 118833926
5-chloro-2-cyano-6-(difluoromethyl)pyridine-3-sulfonamide
CID 134685410
6-chloro-4-cyano-2-(difluoromethyl)pyridine-3-sulfonamide
CID 130071480
6-cyano-4-(difluoromethyl)-3-methoxypyridine-2-sulfonamide
CID 134664686

Frequently Asked Questions

What is the IUPAC name of 6-cyano-2-(difluoromethyl)-3-nitropyridine-4-sulfonamide?
The IUPAC name of 6-cyano-2-(difluoromethyl)-3-nitropyridine-4-sulfonamide (CID 134675468) is 6-cyano-2-(difluoromethyl)-3-nitropyridine-4-sulfonamide.
What is the SMILES notation for 6-cyano-2-(difluoromethyl)-3-nitropyridine-4-sulfonamide?
The canonical SMILES for 6-cyano-2-(difluoromethyl)-3-nitropyridine-4-sulfonamide is N#Cc1cc(S(N)(=O)=O)c([N+](=O)[O-])c(C(F)F)n1.
What is the InChIKey of 6-cyano-2-(difluoromethyl)-3-nitropyridine-4-sulfonamide?
The InChIKey is JATWWUJPWWJIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2N4O4S/c8-7(9)5-6(13(14)15)4(18(11,16)17)1-3(2-10)12-5/h1,7H,(H2,11,16,17).
What are the key properties of 6-cyano-2-(difluoromethyl)-3-nitropyridine-4-sulfonamide?
6-cyano-2-(difluoromethyl)-3-nitropyridine-4-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 6-cyano-2-(difluoromethyl)-3-nitropyridine-4-sulfonamide is sourced from PubChem (CID 134675468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).