4-cyano-5-(difluoromethyl)-2-methylpyridine-3-sulfonamide

C8H7F2N3O2S — CID 134672433

IUPAC4-cyano-5-(difluoromethyl)-2-methylpyridine-3-sulfonamide
SMILESCc1ncc(C(F)F)c(C#N)c1S(N)(=O)=O
InChIInChI=1S/C8H7F2N3O2S/c1-4-7(16(12,14)15)5(2-11)6(3-13-4)8(9)10/h3,8H,1H3,(H2,12,14,15)
InChIKeyPLJCFAICDOGSJV-UHFFFAOYSA-N
MW247.23 g/mol
LogP0.85
Rot. Bonds2

About 4-cyano-5-(difluoromethyl)-2-methylpyridine-3-sulfonamide

4-cyano-5-(difluoromethyl)-2-methylpyridine-3-sulfonamide (PubChem CID 134672433) has the molecular formula C8H7F2N3O2S and a molecular weight of 247.23 g/mol. Its IUPAC name is 4-cyano-5-(difluoromethyl)-2-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name4-cyano-5-(difluoromethyl)-2-methylpyridine-3-sulfonamide
PubChem CID134672433
Molecular FormulaC8H7F2N3O2S
Molecular Weight247.23 g/mol
Exact Mass247.02
IUPAC Name4-cyano-5-(difluoromethyl)-2-methylpyridine-3-sulfonamide
SMILESCc1ncc(C(F)F)c(C#N)c1S(N)(=O)=O
InChIInChI=1S/C8H7F2N3O2S/c1-4-7(16(12,14)15)5(2-11)6(3-13-4)8(9)10/h3,8H,1H3,(H2,12,14,15)
InChIKeyPLJCFAICDOGSJV-UHFFFAOYSA-N
XLogP0.85
TPSA96.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-2-(difluoromethyl)-5-methylpyridine-3-sulfonamide
CID 118821692
5-cyano-4-(difluoromethyl)-6-methylpyridine-3-sulfonamide
CID 134685987
3-bromo-5-(difluoromethyl)-2-methylpyridine-4-carbonitrile
CID 130108704
3-(aminomethyl)-5-(difluoromethyl)-2-methylpyridine-4-carbonitrile
CID 130078189
5-(difluoromethyl)-2-methyl-4-nitropyridine-3-sulfonamide
CID 133098943
4-cyano-5-(difluoromethyl)-3-methylpyridine-2-sulfonyl chloride
CID 118838566
4-cyano-5-(difluoromethyl)-2-methoxypyridine-3-sulfonyl chloride
CID 118844670
2-chloro-5-(difluoromethyl)-4-methylpyridine-3-sulfonamide
CID 119010660
4-amino-5-(difluoromethyl)-2-methylpyridine-3-sulfonyl chloride
CID 118800549
3-cyano-4-(difluoromethyl)-6-fluoropyridine-2-sulfonamide
CID 134685094
4-cyano-2-(difluoromethyl)-5-nitropyridine-3-sulfonamide
CID 118833926
2-cyano-3-(difluoromethyl)-6-methylbenzenesulfonyl chloride
CID 131485072

Frequently Asked Questions

What is the IUPAC name of 4-cyano-5-(difluoromethyl)-2-methylpyridine-3-sulfonamide?
The IUPAC name of 4-cyano-5-(difluoromethyl)-2-methylpyridine-3-sulfonamide (CID 134672433) is 4-cyano-5-(difluoromethyl)-2-methylpyridine-3-sulfonamide.
What is the SMILES notation for 4-cyano-5-(difluoromethyl)-2-methylpyridine-3-sulfonamide?
The canonical SMILES for 4-cyano-5-(difluoromethyl)-2-methylpyridine-3-sulfonamide is Cc1ncc(C(F)F)c(C#N)c1S(N)(=O)=O.
What is the InChIKey of 4-cyano-5-(difluoromethyl)-2-methylpyridine-3-sulfonamide?
The InChIKey is PLJCFAICDOGSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N3O2S/c1-4-7(16(12,14)15)5(2-11)6(3-13-4)8(9)10/h3,8H,1H3,(H2,12,14,15).
What are the key properties of 4-cyano-5-(difluoromethyl)-2-methylpyridine-3-sulfonamide?
4-cyano-5-(difluoromethyl)-2-methylpyridine-3-sulfonamide has a molecular weight of 247.23 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-5-(difluoromethyl)-2-methylpyridine-3-sulfonamide is sourced from PubChem (CID 134672433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).