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

C8H8F5N3O3S — CID 118846600

IUPAC4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-sulfonamide
SMILESNCc1cc(OC(F)(F)F)nc(C(F)F)c1S(N)(=O)=O
InChIInChI=1S/C8H8F5N3O3S/c9-7(10)5-6(20(15,17)18)3(2-14)1-4(16-5)19-8(11,12)13/h1,7H,2,14H2,(H2,15,17,18)
InChIKeyUMHYIBHVGPMPOZ-UHFFFAOYSA-N
MW321.23 g/mol
LogP1.02
Rot. Bonds4

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

4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-sulfonamide (PubChem CID 118846600) has the molecular formula C8H8F5N3O3S and a molecular weight of 321.23 g/mol. Its IUPAC name is 4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-sulfonamide
PubChem CID118846600
Molecular FormulaC8H8F5N3O3S
Molecular Weight321.23 g/mol
Exact Mass321.02
IUPAC Name4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-sulfonamide
SMILESNCc1cc(OC(F)(F)F)nc(C(F)F)c1S(N)(=O)=O
InChIInChI=1S/C8H8F5N3O3S/c9-7(10)5-6(20(15,17)18)3(2-14)1-4(16-5)19-8(11,12)13/h1,7H,2,14H2,(H2,15,17,18)
InChIKeyUMHYIBHVGPMPOZ-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

[2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 134678172
[2-chloro-3-(difluoromethyl)-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 118824071
4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134669918
2-[4-(aminomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134672739
4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)pyridin-2-amine
CID 119006806
[3-bromo-2-chloro-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 118807331
3-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 119005302
4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 118852322
4-(aminomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridin-3-amine
CID 133086394
[2,3-dibromo-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 130093645
2-[4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134679833
4-bromo-2-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol
CID 118845193

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-sulfonamide?
The IUPAC name of 4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-sulfonamide (CID 118846600) is 4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-sulfonamide is NCc1cc(OC(F)(F)F)nc(C(F)F)c1S(N)(=O)=O.
What is the InChIKey of 4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-sulfonamide?
The InChIKey is UMHYIBHVGPMPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F5N3O3S/c9-7(10)5-6(20(15,17)18)3(2-14)1-4(16-5)19-8(11,12)13/h1,7H,2,14H2,(H2,15,17,18).
What are the key properties of 4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-sulfonamide?
4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-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)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-sulfonamide is sourced from PubChem (CID 118846600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).