3-cyano-6-(difluoromethyl)-5-iodopyridine-2-sulfonamide

C7H4F2IN3O2S — CID 130077820

IUPAC3-cyano-6-(difluoromethyl)-5-iodopyridine-2-sulfonamide
SMILESN#Cc1cc(I)c(C(F)F)nc1S(N)(=O)=O
InChIInChI=1S/C7H4F2IN3O2S/c8-6(9)5-4(10)1-3(2-11)7(13-5)16(12,14)15/h1,6H,(H2,12,14,15)
InChIKeySISYEMOQMPLWCG-UHFFFAOYSA-N
MW359.10 g/mol
LogP1.14
Rot. Bonds2

About 3-cyano-6-(difluoromethyl)-5-iodopyridine-2-sulfonamide

3-cyano-6-(difluoromethyl)-5-iodopyridine-2-sulfonamide (PubChem CID 130077820) has the molecular formula C7H4F2IN3O2S and a molecular weight of 359.10 g/mol. Its IUPAC name is 3-cyano-6-(difluoromethyl)-5-iodopyridine-2-sulfonamide.

Molecular Properties

Compound Name3-cyano-6-(difluoromethyl)-5-iodopyridine-2-sulfonamide
PubChem CID130077820
Molecular FormulaC7H4F2IN3O2S
Molecular Weight359.10 g/mol
Exact Mass358.90
IUPAC Name3-cyano-6-(difluoromethyl)-5-iodopyridine-2-sulfonamide
SMILESN#Cc1cc(I)c(C(F)F)nc1S(N)(=O)=O
InChIInChI=1S/C7H4F2IN3O2S/c8-6(9)5-4(10)1-3(2-11)7(13-5)16(12,14)15/h1,6H,(H2,12,14,15)
InChIKeySISYEMOQMPLWCG-UHFFFAOYSA-N
XLogP1.14
TPSA96.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.10
LogP ≤ 51.14
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-cyano-6-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride
CID 130077780
2-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 118831357
5-chloro-6-(difluoromethyl)-3-iodopyridine-2-sulfonamide
CID 130073589
6-amino-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 119004899
2-amino-5-cyano-6-(difluoromethyl)pyridine-3-sulfonamide
CID 119021912
6-chloro-4-cyano-2-(difluoromethyl)pyridine-3-sulfonamide
CID 130071480
3-amino-5-cyano-6-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130103729
6-bromo-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 119008379
3-bromo-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile
CID 130108635
6-(aminomethyl)-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 118814384
5-cyano-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide
CID 134676606
3-(difluoromethyl)-4,6-diiodopyridine-2-sulfonamide
CID 134677678

Frequently Asked Questions

What is the IUPAC name of 3-cyano-6-(difluoromethyl)-5-iodopyridine-2-sulfonamide?
The IUPAC name of 3-cyano-6-(difluoromethyl)-5-iodopyridine-2-sulfonamide (CID 130077820) is 3-cyano-6-(difluoromethyl)-5-iodopyridine-2-sulfonamide.
What is the SMILES notation for 3-cyano-6-(difluoromethyl)-5-iodopyridine-2-sulfonamide?
The canonical SMILES for 3-cyano-6-(difluoromethyl)-5-iodopyridine-2-sulfonamide is N#Cc1cc(I)c(C(F)F)nc1S(N)(=O)=O.
What is the InChIKey of 3-cyano-6-(difluoromethyl)-5-iodopyridine-2-sulfonamide?
The InChIKey is SISYEMOQMPLWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2IN3O2S/c8-6(9)5-4(10)1-3(2-11)7(13-5)16(12,14)15/h1,6H,(H2,12,14,15).
What are the key properties of 3-cyano-6-(difluoromethyl)-5-iodopyridine-2-sulfonamide?
3-cyano-6-(difluoromethyl)-5-iodopyridine-2-sulfonamide has a molecular weight of 359.10 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-6-(difluoromethyl)-5-iodopyridine-2-sulfonamide is sourced from PubChem (CID 130077820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).