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

C7H4F2N4O4S — CID 118833926

IUPAC4-cyano-2-(difluoromethyl)-5-nitropyridine-3-sulfonamide
SMILESN#Cc1c([N+](=O)[O-])cnc(C(F)F)c1S(N)(=O)=O
InChIInChI=1S/C7H4F2N4O4S/c8-7(9)5-6(18(11,16)17)3(1-10)4(2-12-5)13(14)15/h2,7H,(H2,11,16,17)
InChIKeyNPUGTPQILDMXHX-UHFFFAOYSA-N
MW278.20 g/mol
LogP0.45
Rot. Bonds3

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

4-cyano-2-(difluoromethyl)-5-nitropyridine-3-sulfonamide (PubChem CID 118833926) has the molecular formula C7H4F2N4O4S and a molecular weight of 278.20 g/mol. Its IUPAC name is 4-cyano-2-(difluoromethyl)-5-nitropyridine-3-sulfonamide.

Molecular Properties

Compound Name4-cyano-2-(difluoromethyl)-5-nitropyridine-3-sulfonamide
PubChem CID118833926
Molecular FormulaC7H4F2N4O4S
Molecular Weight278.20 g/mol
Exact Mass277.99
IUPAC Name4-cyano-2-(difluoromethyl)-5-nitropyridine-3-sulfonamide
SMILESN#Cc1c([N+](=O)[O-])cnc(C(F)F)c1S(N)(=O)=O
InChIInChI=1S/C7H4F2N4O4S/c8-7(9)5-6(18(11,16)17)3(1-10)4(2-12-5)13(14)15/h2,7H,(H2,11,16,17)
InChIKeyNPUGTPQILDMXHX-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'}

Analyze 4-cyano-2-(difluoromethyl)-5-nitropyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-cyano-2-(difluoromethyl)-5-methylpyridine-3-sulfonamide
CID 118821692
2-(difluoromethyl)-4-formyl-5-nitropyridine-3-carbonitrile
CID 130078736
5-cyano-2-(difluoromethyl)-3-hydroxypyridine-4-sulfonamide
CID 130077095
2-[4-cyano-3-(difluoromethyl)-5-nitro-2-pyridinyl]acetic acid
CID 118833612
3-(difluoromethyl)-5-nitropyridine-4-sulfonamide
CID 134670330
4-cyano-5-(difluoromethyl)-2-methylpyridine-3-sulfonamide
CID 134672433
3-(difluoromethyl)-4-fluoro-5-nitropyridine-2-sulfonamide
CID 133104372
2-[3-cyano-4-(difluoromethyl)-5-nitro-2-pyridinyl]acetic acid
CID 134672480
6-cyano-2-(difluoromethyl)-3-nitropyridine-4-sulfonamide
CID 134675468
4-(difluoromethyl)-5-nitropyridine-2-carbonitrile
CID 118990774
2-[2-(difluoromethyl)-5-nitro-4-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118809433
4-bromo-6-(difluoromethyl)-5-nitropyridine-3-carbonitrile
CID 118822990

Frequently Asked Questions

What is the IUPAC name of 4-cyano-2-(difluoromethyl)-5-nitropyridine-3-sulfonamide?
The IUPAC name of 4-cyano-2-(difluoromethyl)-5-nitropyridine-3-sulfonamide (CID 118833926) is 4-cyano-2-(difluoromethyl)-5-nitropyridine-3-sulfonamide.
What is the SMILES notation for 4-cyano-2-(difluoromethyl)-5-nitropyridine-3-sulfonamide?
The canonical SMILES for 4-cyano-2-(difluoromethyl)-5-nitropyridine-3-sulfonamide is N#Cc1c([N+](=O)[O-])cnc(C(F)F)c1S(N)(=O)=O.
What is the InChIKey of 4-cyano-2-(difluoromethyl)-5-nitropyridine-3-sulfonamide?
The InChIKey is NPUGTPQILDMXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2N4O4S/c8-7(9)5-6(18(11,16)17)3(1-10)4(2-12-5)13(14)15/h2,7H,(H2,11,16,17).
What are the key properties of 4-cyano-2-(difluoromethyl)-5-nitropyridine-3-sulfonamide?
4-cyano-2-(difluoromethyl)-5-nitropyridine-3-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 4-cyano-2-(difluoromethyl)-5-nitropyridine-3-sulfonamide is sourced from PubChem (CID 118833926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).