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

C8H7F2N3O2S — CID 134685987

IUPAC5-cyano-4-(difluoromethyl)-6-methylpyridine-3-sulfonamide
SMILESCc1ncc(S(N)(=O)=O)c(C(F)F)c1C#N
InChIInChI=1S/C8H7F2N3O2S/c1-4-5(2-11)7(8(9)10)6(3-13-4)16(12,14)15/h3,8H,1H3,(H2,12,14,15)
InChIKeyRNFAWBXIOJMJFE-UHFFFAOYSA-N
MW247.23 g/mol
LogP0.85
Rot. Bonds2

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

5-cyano-4-(difluoromethyl)-6-methylpyridine-3-sulfonamide (PubChem CID 134685987) has the molecular formula C8H7F2N3O2S and a molecular weight of 247.23 g/mol. Its IUPAC name is 5-cyano-4-(difluoromethyl)-6-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-cyano-4-(difluoromethyl)-6-methylpyridine-3-sulfonamide
PubChem CID134685987
Molecular FormulaC8H7F2N3O2S
Molecular Weight247.23 g/mol
Exact Mass247.02
IUPAC Name5-cyano-4-(difluoromethyl)-6-methylpyridine-3-sulfonamide
SMILESCc1ncc(S(N)(=O)=O)c(C(F)F)c1C#N
InChIInChI=1S/C8H7F2N3O2S/c1-4-5(2-11)7(8(9)10)6(3-13-4)16(12,14)15/h3,8H,1H3,(H2,12,14,15)
InChIKeyRNFAWBXIOJMJFE-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

5-cyano-4-(difluoromethyl)-6-iodopyridine-3-sulfonamide
CID 130077803
4-cyano-5-(difluoromethyl)-2-methylpyridine-3-sulfonamide
CID 134672433
4-chloro-5-(difluoromethyl)-6-methylpyridine-3-sulfonamide
CID 130074592
5-chloro-6-cyano-4-(difluoromethyl)pyridine-3-sulfonamide
CID 134685278
6-cyano-4-(difluoromethyl)-5-methoxypyridine-3-sulfonamide
CID 119012646
5-(difluoromethyl)-4-methoxy-6-methylpyridine-3-sulfonamide
CID 133098987
6-cyano-5-(difluoromethyl)-4-fluoropyridine-3-sulfonamide
CID 119012791
4-cyano-2-(difluoromethyl)-5-methylpyridine-3-sulfonamide
CID 118821692
5-cyano-4-(difluoromethyl)-6-iodopyridine-3-sulfonyl chloride
CID 130077762
6-amino-4-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 130103695
6-amino-2-cyano-3-(difluoromethyl)pyridine-4-sulfonamide
CID 130103745
2-cyano-3-(difluoromethyl)-6-fluoropyridine-4-sulfonamide
CID 118993918

Frequently Asked Questions

What is the IUPAC name of 5-cyano-4-(difluoromethyl)-6-methylpyridine-3-sulfonamide?
The IUPAC name of 5-cyano-4-(difluoromethyl)-6-methylpyridine-3-sulfonamide (CID 134685987) is 5-cyano-4-(difluoromethyl)-6-methylpyridine-3-sulfonamide.
What is the SMILES notation for 5-cyano-4-(difluoromethyl)-6-methylpyridine-3-sulfonamide?
The canonical SMILES for 5-cyano-4-(difluoromethyl)-6-methylpyridine-3-sulfonamide is Cc1ncc(S(N)(=O)=O)c(C(F)F)c1C#N.
What is the InChIKey of 5-cyano-4-(difluoromethyl)-6-methylpyridine-3-sulfonamide?
The InChIKey is RNFAWBXIOJMJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N3O2S/c1-4-5(2-11)7(8(9)10)6(3-13-4)16(12,14)15/h3,8H,1H3,(H2,12,14,15).
What are the key properties of 5-cyano-4-(difluoromethyl)-6-methylpyridine-3-sulfonamide?
5-cyano-4-(difluoromethyl)-6-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 5-cyano-4-(difluoromethyl)-6-methylpyridine-3-sulfonamide is sourced from PubChem (CID 134685987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).