2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide

C7H7F3N2O3S — CID 139597581

IUPAC2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCOc1nccc(C(F)(F)F)c1S(N)(=O)=O
InChIInChI=1S/C7H7F3N2O3S/c1-15-6-5(16(11,13)14)4(2-3-12-6)7(8,9)10/h2-3H,1H3,(H2,11,13,14)
InChIKeyWBUFOXXQVMYCKR-UHFFFAOYSA-N
MW256.20 g/mol
LogP0.76
Rot. Bonds2

About 2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide

2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 139597581) has the molecular formula C7H7F3N2O3S and a molecular weight of 256.20 g/mol. Its IUPAC name is 2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID139597581
Molecular FormulaC7H7F3N2O3S
Molecular Weight256.20 g/mol
Exact Mass256.01
IUPAC Name2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCOc1nccc(C(F)(F)F)c1S(N)(=O)=O
InChIInChI=1S/C7H7F3N2O3S/c1-15-6-5(16(11,13)14)4(2-3-12-6)7(8,9)10/h2-3H,1H3,(H2,11,13,14)
InChIKeyWBUFOXXQVMYCKR-UHFFFAOYSA-N
XLogP0.76
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.20
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of 2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide (CID 139597581) is 2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide is COc1nccc(C(F)(F)F)c1S(N)(=O)=O.
What is the InChIKey of 2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is WBUFOXXQVMYCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O3S/c1-15-6-5(16(11,13)14)4(2-3-12-6)7(8,9)10/h2-3H,1H3,(H2,11,13,14).
What are the key properties of 2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide?
2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 256.20 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 139597581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).