3-cyano-4-(trifluoromethoxy)pyridine-2-sulfonamide

C7H4F3N3O3S — CID 133095483

IUPAC3-cyano-4-(trifluoromethoxy)pyridine-2-sulfonamide
SMILESN#Cc1c(OC(F)(F)F)ccnc1S(N)(=O)=O
InChIInChI=1S/C7H4F3N3O3S/c8-7(9,10)16-5-1-2-13-6(4(5)3-11)17(12,14)15/h1-2H,(H2,12,14,15)
InChIKeyCHRDDRHMNZFCPY-UHFFFAOYSA-N
MW267.19 g/mol
LogP0.50
Rot. Bonds2

About 3-cyano-4-(trifluoromethoxy)pyridine-2-sulfonamide

3-cyano-4-(trifluoromethoxy)pyridine-2-sulfonamide (PubChem CID 133095483) has the molecular formula C7H4F3N3O3S and a molecular weight of 267.19 g/mol. Its IUPAC name is 3-cyano-4-(trifluoromethoxy)pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-cyano-4-(trifluoromethoxy)pyridine-2-sulfonamide
PubChem CID133095483
Molecular FormulaC7H4F3N3O3S
Molecular Weight267.19 g/mol
Exact Mass266.99
IUPAC Name3-cyano-4-(trifluoromethoxy)pyridine-2-sulfonamide
SMILESN#Cc1c(OC(F)(F)F)ccnc1S(N)(=O)=O
InChIInChI=1S/C7H4F3N3O3S/c8-7(9,10)16-5-1-2-13-6(4(5)3-11)17(12,14)15/h1-2H,(H2,12,14,15)
InChIKeyCHRDDRHMNZFCPY-UHFFFAOYSA-N
XLogP0.50
TPSA106.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.19
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyanomethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133095482
4-cyano-2-(trifluoromethoxy)pyridine-3-sulfonamide
CID 133095710
6-amino-5-cyano-3-(trifluoromethoxy)pyridine-2-sulfonamide
CID 133094791
4-(trifluoromethoxy)pyridine-3-sulfonamide
CID 118829617
2-amino-4-cyano-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 131468991
6-amino-3-cyano-2-(trifluoromethoxy)pyridine-4-sulfonamide
CID 133096268
2-cyano-3-[2-pyridazin-4-yl-4-(trifluoromethoxy)phenoxy]-6-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 142788156
3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 130088894
3-amino-2-bromo-6-(trifluoromethoxy)benzonitrile
CID 131296547
6-cyano-2-(trifluoromethoxy)pyridine-3-sulfonamide
CID 133096320
4-methoxy-3-methyl-5-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134660596
4-cyano-3-nitropyridine-2-sulfonamide
CID 82813144

Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-(trifluoromethoxy)pyridine-2-sulfonamide?
The IUPAC name of 3-cyano-4-(trifluoromethoxy)pyridine-2-sulfonamide (CID 133095483) is 3-cyano-4-(trifluoromethoxy)pyridine-2-sulfonamide.
What is the SMILES notation for 3-cyano-4-(trifluoromethoxy)pyridine-2-sulfonamide?
The canonical SMILES for 3-cyano-4-(trifluoromethoxy)pyridine-2-sulfonamide is N#Cc1c(OC(F)(F)F)ccnc1S(N)(=O)=O.
What is the InChIKey of 3-cyano-4-(trifluoromethoxy)pyridine-2-sulfonamide?
The InChIKey is CHRDDRHMNZFCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N3O3S/c8-7(9,10)16-5-1-2-13-6(4(5)3-11)17(12,14)15/h1-2H,(H2,12,14,15).
What are the key properties of 3-cyano-4-(trifluoromethoxy)pyridine-2-sulfonamide?
3-cyano-4-(trifluoromethoxy)pyridine-2-sulfonamide has a molecular weight of 267.19 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-(trifluoromethoxy)pyridine-2-sulfonamide is sourced from PubChem (CID 133095483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).