4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-sulfonamide

C8H8F5N3O3S — CID 134669918

IUPAC4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-sulfonamide
SMILESNCc1cc(C(F)F)nc(S(N)(=O)=O)c1OC(F)(F)F
InChIInChI=1S/C8H8F5N3O3S/c9-6(10)4-1-3(2-14)5(19-8(11,12)13)7(16-4)20(15,17)18/h1,6H,2,14H2,(H2,15,17,18)
InChIKeyFPLVMTFZIURPJR-UHFFFAOYSA-N
MW321.23 g/mol
LogP1.02
Rot. Bonds4

About 4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-sulfonamide

4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-sulfonamide (PubChem CID 134669918) has the molecular formula C8H8F5N3O3S and a molecular weight of 321.23 g/mol. Its IUPAC name is 4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-sulfonamide
PubChem CID134669918
Molecular FormulaC8H8F5N3O3S
Molecular Weight321.23 g/mol
Exact Mass321.02
IUPAC Name4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-sulfonamide
SMILESNCc1cc(C(F)F)nc(S(N)(=O)=O)c1OC(F)(F)F
InChIInChI=1S/C8H8F5N3O3S/c9-6(10)4-1-3(2-14)5(19-8(11,12)13)7(16-4)20(15,17)18/h1,6H,2,14H2,(H2,15,17,18)
InChIKeyFPLVMTFZIURPJR-UHFFFAOYSA-N
XLogP1.02
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.23
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-sulfonamide
CID 118807327
4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-2-amine
CID 119011988
2-[2-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 118820188
4-(aminomethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-sulfonyl chloride
CID 134682381
4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-sulfonamide
CID 118846600
2-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-amine
CID 118823621
4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118818531
5-(aminomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134682315
3-amino-6-(difluoromethyl)-4-methylpyridine-2-sulfonamide
CID 130106771
4-(chloromethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134671147
4-(bromomethyl)-6-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine
CID 134660867
ethyl 4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134668307

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-sulfonamide?
The IUPAC name of 4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-sulfonamide (CID 134669918) is 4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-sulfonamide is NCc1cc(C(F)F)nc(S(N)(=O)=O)c1OC(F)(F)F.
What is the InChIKey of 4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-sulfonamide?
The InChIKey is FPLVMTFZIURPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F5N3O3S/c9-6(10)4-1-3(2-14)5(19-8(11,12)13)7(16-4)20(15,17)18/h1,6H,2,14H2,(H2,15,17,18).
What are the key properties of 4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-sulfonamide?
4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-sulfonamide has a molecular weight of 321.23 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-sulfonamide is sourced from PubChem (CID 134669918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).