6-cyano-4-(difluoromethyl)-5-methoxypyridine-3-sulfonamide

C8H7F2N3O3S — CID 119012646

IUPAC6-cyano-4-(difluoromethyl)-5-methoxypyridine-3-sulfonamide
SMILESCOc1c(C#N)ncc(S(N)(=O)=O)c1C(F)F
InChIInChI=1S/C8H7F2N3O3S/c1-16-7-4(2-11)13-3-5(17(12,14)15)6(7)8(9)10/h3,8H,1H3,(H2,12,14,15)
InChIKeyLXUIAVXVDKFAGH-UHFFFAOYSA-N
MW263.22 g/mol
LogP0.55
Rot. Bonds3

About 6-cyano-4-(difluoromethyl)-5-methoxypyridine-3-sulfonamide

6-cyano-4-(difluoromethyl)-5-methoxypyridine-3-sulfonamide (PubChem CID 119012646) has the molecular formula C8H7F2N3O3S and a molecular weight of 263.22 g/mol. Its IUPAC name is 6-cyano-4-(difluoromethyl)-5-methoxypyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-4-(difluoromethyl)-5-methoxypyridine-3-sulfonamide
PubChem CID119012646
Molecular FormulaC8H7F2N3O3S
Molecular Weight263.22 g/mol
Exact Mass263.02
IUPAC Name6-cyano-4-(difluoromethyl)-5-methoxypyridine-3-sulfonamide
SMILESCOc1c(C#N)ncc(S(N)(=O)=O)c1C(F)F
InChIInChI=1S/C8H7F2N3O3S/c1-16-7-4(2-11)13-3-5(17(12,14)15)6(7)8(9)10/h3,8H,1H3,(H2,12,14,15)
InChIKeyLXUIAVXVDKFAGH-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

5-chloro-6-cyano-4-(difluoromethyl)pyridine-3-sulfonamide
CID 134685278
4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carbonitrile
CID 119021849
6-cyano-5-(difluoromethyl)-4-fluoropyridine-3-sulfonamide
CID 119012791
5-(difluoromethyl)-4-methoxy-6-methylpyridine-3-sulfonamide
CID 133098987
5-cyano-4-(difluoromethyl)-6-methylpyridine-3-sulfonamide
CID 134685987
3-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbonitrile
CID 118992378
5-cyano-4-(difluoromethyl)-6-iodopyridine-3-sulfonamide
CID 130077803
5-(difluoromethyl)-4-fluoro-3-methoxypyridine-2-carbonitrile
CID 119010675
5-chloro-6-(difluoromethyl)-4-methoxypyridine-3-sulfonamide
CID 134686410
2-[6-cyano-5-(difluoromethyl)-4-methoxy-3-pyridinyl]acetic acid
CID 134664652
5-(difluoromethyl)-4-methoxy-3-methylpyridine-2-carbonitrile
CID 119010367
2-cyano-3-(difluoromethyl)-6-fluoropyridine-4-sulfonamide
CID 118993918

Frequently Asked Questions

What is the IUPAC name of 6-cyano-4-(difluoromethyl)-5-methoxypyridine-3-sulfonamide?
The IUPAC name of 6-cyano-4-(difluoromethyl)-5-methoxypyridine-3-sulfonamide (CID 119012646) is 6-cyano-4-(difluoromethyl)-5-methoxypyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-4-(difluoromethyl)-5-methoxypyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-4-(difluoromethyl)-5-methoxypyridine-3-sulfonamide is COc1c(C#N)ncc(S(N)(=O)=O)c1C(F)F.
What is the InChIKey of 6-cyano-4-(difluoromethyl)-5-methoxypyridine-3-sulfonamide?
The InChIKey is LXUIAVXVDKFAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N3O3S/c1-16-7-4(2-11)13-3-5(17(12,14)15)6(7)8(9)10/h3,8H,1H3,(H2,12,14,15).
What are the key properties of 6-cyano-4-(difluoromethyl)-5-methoxypyridine-3-sulfonamide?
6-cyano-4-(difluoromethyl)-5-methoxypyridine-3-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)-5-methoxypyridine-3-sulfonamide is sourced from PubChem (CID 119012646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).