3-(difluoromethyl)-4-iodo-6-methoxypyridine-2-sulfonamide

C7H7F2IN2O3S — CID 130085864

IUPAC3-(difluoromethyl)-4-iodo-6-methoxypyridine-2-sulfonamide
SMILESCOc1cc(I)c(C(F)F)c(S(N)(=O)=O)n1
InChIInChI=1S/C7H7F2IN2O3S/c1-15-4-2-3(10)5(6(8)9)7(12-4)16(11,13)14/h2,6H,1H3,(H2,11,13,14)
InChIKeyIQRCZZHKNGTWBZ-UHFFFAOYSA-N
MW364.11 g/mol
LogP1.28
Rot. Bonds3

About 3-(difluoromethyl)-4-iodo-6-methoxypyridine-2-sulfonamide

3-(difluoromethyl)-4-iodo-6-methoxypyridine-2-sulfonamide (PubChem CID 130085864) has the molecular formula C7H7F2IN2O3S and a molecular weight of 364.11 g/mol. Its IUPAC name is 3-(difluoromethyl)-4-iodo-6-methoxypyridine-2-sulfonamide.

Molecular Properties

Compound Name3-(difluoromethyl)-4-iodo-6-methoxypyridine-2-sulfonamide
PubChem CID130085864
Molecular FormulaC7H7F2IN2O3S
Molecular Weight364.11 g/mol
Exact Mass363.92
IUPAC Name3-(difluoromethyl)-4-iodo-6-methoxypyridine-2-sulfonamide
SMILESCOc1cc(I)c(C(F)F)c(S(N)(=O)=O)n1
InChIInChI=1S/C7H7F2IN2O3S/c1-15-4-2-3(10)5(6(8)9)7(12-4)16(11,13)14/h2,6H,1H3,(H2,11,13,14)
InChIKeyIQRCZZHKNGTWBZ-UHFFFAOYSA-N
XLogP1.28
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.11
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-(difluoromethyl)-4-fluoro-6-methoxypyridine-2-sulfonamide
CID 133105151
3-(difluoromethyl)-4,6-diiodopyridine-2-sulfonamide
CID 134677678
2-bromo-3-(difluoromethyl)-6-methoxypyridine-4-sulfonamide
CID 119008964
6-chloro-3-(difluoromethyl)-4-methoxypyridine-2-sulfonamide
CID 130074043
3-(difluoromethyl)-4-methoxy-6-nitropyridine-2-sulfonamide
CID 133087613
6-bromo-3-(difluoromethyl)-4-methylpyridine-2-sulfonamide
CID 130069630
5-chloro-3-(difluoromethyl)-6-methoxypyridine-2-sulfonamide
CID 134669477
4-(difluoromethyl)-3-hydroxy-6-methoxypyridine-2-sulfonyl chloride
CID 118800764
6-chloro-5-(difluoromethyl)-4-iodopyridine-2-sulfonamide
CID 119025115
6-bromo-3-(difluoromethyl)-4-iodopyridine-2-sulfonyl chloride
CID 130068552
3-(difluoromethyl)-4-methyl-6-nitropyridine-2-sulfonamide
CID 133098938
6-amino-4-bromo-3-(difluoromethyl)pyridine-2-sulfonamide
CID 130102335

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4-iodo-6-methoxypyridine-2-sulfonamide?
The IUPAC name of 3-(difluoromethyl)-4-iodo-6-methoxypyridine-2-sulfonamide (CID 130085864) is 3-(difluoromethyl)-4-iodo-6-methoxypyridine-2-sulfonamide.
What is the SMILES notation for 3-(difluoromethyl)-4-iodo-6-methoxypyridine-2-sulfonamide?
The canonical SMILES for 3-(difluoromethyl)-4-iodo-6-methoxypyridine-2-sulfonamide is COc1cc(I)c(C(F)F)c(S(N)(=O)=O)n1.
What is the InChIKey of 3-(difluoromethyl)-4-iodo-6-methoxypyridine-2-sulfonamide?
The InChIKey is IQRCZZHKNGTWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2IN2O3S/c1-15-4-2-3(10)5(6(8)9)7(12-4)16(11,13)14/h2,6H,1H3,(H2,11,13,14).
What are the key properties of 3-(difluoromethyl)-4-iodo-6-methoxypyridine-2-sulfonamide?
3-(difluoromethyl)-4-iodo-6-methoxypyridine-2-sulfonamide has a molecular weight of 364.11 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4-iodo-6-methoxypyridine-2-sulfonamide is sourced from PubChem (CID 130085864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).