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

C6H6F2N4O4S — CID 118812167

IUPAC4-amino-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide
SMILESNc1cc([N+](=O)[O-])nc(S(N)(=O)=O)c1C(F)F
InChIInChI=1S/C6H6F2N4O4S/c7-5(8)4-2(9)1-3(12(13)14)11-6(4)17(10,15)16/h1,5H,(H2,9,11)(H2,10,15,16)
InChIKeySJECZKGVOIDISM-UHFFFAOYSA-N
MW268.20 g/mol
LogP0.16
Rot. Bonds3

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

4-amino-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide (PubChem CID 118812167) has the molecular formula C6H6F2N4O4S and a molecular weight of 268.20 g/mol. Its IUPAC name is 4-amino-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide.

Molecular Properties

Compound Name4-amino-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide
PubChem CID118812167
Molecular FormulaC6H6F2N4O4S
Molecular Weight268.20 g/mol
Exact Mass268.01
IUPAC Name4-amino-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide
SMILESNc1cc([N+](=O)[O-])nc(S(N)(=O)=O)c1C(F)F
InChIInChI=1S/C6H6F2N4O4S/c7-5(8)4-2(9)1-3(12(13)14)11-6(4)17(10,15)16/h1,5H,(H2,9,11)(H2,10,15,16)
InChIKeySJECZKGVOIDISM-UHFFFAOYSA-N
XLogP0.16
TPSA142.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 50.16
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

3-(difluoromethyl)-4-methyl-6-nitropyridine-2-sulfonamide
CID 133098938
3-(difluoromethyl)-4-methoxy-6-nitropyridine-2-sulfonamide
CID 133087613
2-chloro-3-(difluoromethyl)-6-nitropyridin-4-amine
CID 118851730
3-(difluoromethyl)-4-iodo-6-nitropyridin-2-amine
CID 119018326
6-amino-3-(difluoromethyl)-2-nitropyridine-4-sulfonamide
CID 134676922
6-amino-4-bromo-3-(difluoromethyl)pyridine-2-sulfonamide
CID 130102335
3-(difluoromethyl)-4,6-diiodopyridine-2-sulfonamide
CID 134677678
3-(difluoromethyl)-2-iodo-6-nitropyridine-4-sulfonyl chloride
CID 131451806
3-(difluoromethyl)-4-fluoro-5-nitropyridine-2-sulfonamide
CID 133104372
4-amino-3-(difluoromethyl)pyridine-2-sulfonamide
CID 118829041
3-chloro-4-(difluoromethyl)-6-nitropyridine-2-sulfonyl chloride
CID 131446502
4-(difluoromethyl)-5-hydroxy-3-nitropyridine-2-sulfonamide
CID 118801115

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide?
The IUPAC name of 4-amino-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide (CID 118812167) is 4-amino-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide.
What is the SMILES notation for 4-amino-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide?
The canonical SMILES for 4-amino-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide is Nc1cc([N+](=O)[O-])nc(S(N)(=O)=O)c1C(F)F.
What is the InChIKey of 4-amino-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide?
The InChIKey is SJECZKGVOIDISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N4O4S/c7-5(8)4-2(9)1-3(12(13)14)11-6(4)17(10,15)16/h1,5H,(H2,9,11)(H2,10,15,16).
What are the key properties of 4-amino-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide?
4-amino-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide has a molecular weight of 268.20 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide is sourced from PubChem (CID 118812167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).