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

C8H7F2N3O3S — CID 134664686

IUPAC6-cyano-4-(difluoromethyl)-3-methoxypyridine-2-sulfonamide
SMILESCOc1c(C(F)F)cc(C#N)nc1S(N)(=O)=O
InChIInChI=1S/C8H7F2N3O3S/c1-16-6-5(7(9)10)2-4(3-11)13-8(6)17(12,14)15/h2,7H,1H3,(H2,12,14,15)
InChIKeyXGJXTCLYGZVEQI-UHFFFAOYSA-N
MW263.22 g/mol
LogP0.55
Rot. Bonds3

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

6-cyano-4-(difluoromethyl)-3-methoxypyridine-2-sulfonamide (PubChem CID 134664686) has the molecular formula C8H7F2N3O3S and a molecular weight of 263.22 g/mol. Its IUPAC name is 6-cyano-4-(difluoromethyl)-3-methoxypyridine-2-sulfonamide.

Molecular Properties

Compound Name6-cyano-4-(difluoromethyl)-3-methoxypyridine-2-sulfonamide
PubChem CID134664686
Molecular FormulaC8H7F2N3O3S
Molecular Weight263.22 g/mol
Exact Mass263.02
IUPAC Name6-cyano-4-(difluoromethyl)-3-methoxypyridine-2-sulfonamide
SMILESCOc1c(C(F)F)cc(C#N)nc1S(N)(=O)=O
InChIInChI=1S/C8H7F2N3O3S/c1-16-6-5(7(9)10)2-4(3-11)13-8(6)17(12,14)15/h2,7H,1H3,(H2,12,14,15)
InChIKeyXGJXTCLYGZVEQI-UHFFFAOYSA-N
XLogP0.55
TPSA106.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-cyano-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate
CID 134671057
4-bromo-6-cyano-3-(difluoromethyl)pyridine-2-sulfonamide
CID 118822647
6-bromo-4-(difluoromethyl)-5-methoxypyridine-2-sulfonamide
CID 130069038
6-cyano-4-(difluoromethyl)-3-iodopyridine-2-sulfonyl chloride
CID 130077741
6-(difluoromethyl)-3-methoxy-4-nitropyridine-2-sulfonamide
CID 133087549
5-chloro-3-(difluoromethyl)-6-methoxypyridine-2-sulfonamide
CID 134669477
3-bromo-5-(difluoromethyl)-6-methoxypyridine-2-sulfonamide
CID 130069062
3-cyano-4-(difluoromethyl)-6-fluoropyridine-2-sulfonamide
CID 134685094
5-cyano-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide
CID 134676606
methyl 2-amino-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate
CID 130103649
6-bromo-4-(difluoromethyl)-3-methoxypyridine-2-sulfonyl chloride
CID 130068997
4-(difluoromethyl)-6-formyl-3-methoxypyridine-2-carbonitrile
CID 119024722

Frequently Asked Questions

What is the IUPAC name of 6-cyano-4-(difluoromethyl)-3-methoxypyridine-2-sulfonamide?
The IUPAC name of 6-cyano-4-(difluoromethyl)-3-methoxypyridine-2-sulfonamide (CID 134664686) is 6-cyano-4-(difluoromethyl)-3-methoxypyridine-2-sulfonamide.
What is the SMILES notation for 6-cyano-4-(difluoromethyl)-3-methoxypyridine-2-sulfonamide?
The canonical SMILES for 6-cyano-4-(difluoromethyl)-3-methoxypyridine-2-sulfonamide is COc1c(C(F)F)cc(C#N)nc1S(N)(=O)=O.
What is the InChIKey of 6-cyano-4-(difluoromethyl)-3-methoxypyridine-2-sulfonamide?
The InChIKey is XGJXTCLYGZVEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N3O3S/c1-16-6-5(7(9)10)2-4(3-11)13-8(6)17(12,14)15/h2,7H,1H3,(H2,12,14,15).
What are the key properties of 6-cyano-4-(difluoromethyl)-3-methoxypyridine-2-sulfonamide?
6-cyano-4-(difluoromethyl)-3-methoxypyridine-2-sulfonamide has a molecular weight of 263.22 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-4-(difluoromethyl)-3-methoxypyridine-2-sulfonamide is sourced from PubChem (CID 134664686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).