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

C7H7F2N3O5S — CID 133087613

IUPAC3-(difluoromethyl)-4-methoxy-6-nitropyridine-2-sulfonamide
SMILESCOc1cc([N+](=O)[O-])nc(S(N)(=O)=O)c1C(F)F
InChIInChI=1S/C7H7F2N3O5S/c1-17-3-2-4(12(13)14)11-7(18(10,15)16)5(3)6(8)9/h2,6H,1H3,(H2,10,15,16)
InChIKeyUGQGSAQXBBCGQY-UHFFFAOYSA-N
MW283.21 g/mol
LogP0.58
Rot. Bonds4

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

3-(difluoromethyl)-4-methoxy-6-nitropyridine-2-sulfonamide (PubChem CID 133087613) has the molecular formula C7H7F2N3O5S and a molecular weight of 283.21 g/mol. Its IUPAC name is 3-(difluoromethyl)-4-methoxy-6-nitropyridine-2-sulfonamide.

Molecular Properties

Compound Name3-(difluoromethyl)-4-methoxy-6-nitropyridine-2-sulfonamide
PubChem CID133087613
Molecular FormulaC7H7F2N3O5S
Molecular Weight283.21 g/mol
Exact Mass283.01
IUPAC Name3-(difluoromethyl)-4-methoxy-6-nitropyridine-2-sulfonamide
SMILESCOc1cc([N+](=O)[O-])nc(S(N)(=O)=O)c1C(F)F
InChIInChI=1S/C7H7F2N3O5S/c1-17-3-2-4(12(13)14)11-7(18(10,15)16)5(3)6(8)9/h2,6H,1H3,(H2,10,15,16)
InChIKeyUGQGSAQXBBCGQY-UHFFFAOYSA-N
XLogP0.58
TPSA125.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 50.58
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

3-(difluoromethyl)-4-methyl-6-nitropyridine-2-sulfonamide
CID 133098938
4-amino-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide
CID 118812167
6-chloro-3-(difluoromethyl)-4-methoxypyridine-2-sulfonamide
CID 130074043
6-(difluoromethyl)-3-methoxy-4-nitropyridine-2-sulfonamide
CID 133087549
3-(difluoromethyl)-4-fluoro-6-methoxypyridine-2-sulfonamide
CID 133105151
3-(difluoromethyl)-4-iodo-6-methoxypyridine-2-sulfonamide
CID 130085864
2-(difluoromethyl)-4-methoxy-6-nitropyridin-3-ol
CID 118826123
3-(difluoromethyl)-4-methoxy-5-nitropyridine-2-sulfonamide
CID 133087554
2-(difluoromethyl)-4-methoxy-6-nitropyridine
CID 118803609
4-methoxy-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134680057
3-(difluoromethyl)-4-iodo-6-nitropyridin-2-amine
CID 119018326
3-(difluoromethyl)-4,6-diiodopyridine-2-sulfonamide
CID 134677678

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4-methoxy-6-nitropyridine-2-sulfonamide?
The IUPAC name of 3-(difluoromethyl)-4-methoxy-6-nitropyridine-2-sulfonamide (CID 133087613) is 3-(difluoromethyl)-4-methoxy-6-nitropyridine-2-sulfonamide.
What is the SMILES notation for 3-(difluoromethyl)-4-methoxy-6-nitropyridine-2-sulfonamide?
The canonical SMILES for 3-(difluoromethyl)-4-methoxy-6-nitropyridine-2-sulfonamide is COc1cc([N+](=O)[O-])nc(S(N)(=O)=O)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-4-methoxy-6-nitropyridine-2-sulfonamide?
The InChIKey is UGQGSAQXBBCGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2N3O5S/c1-17-3-2-4(12(13)14)11-7(18(10,15)16)5(3)6(8)9/h2,6H,1H3,(H2,10,15,16).
What are the key properties of 3-(difluoromethyl)-4-methoxy-6-nitropyridine-2-sulfonamide?
3-(difluoromethyl)-4-methoxy-6-nitropyridine-2-sulfonamide has a molecular weight of 283.21 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4-methoxy-6-nitropyridine-2-sulfonamide is sourced from PubChem (CID 133087613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).