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

C8H7F6N3O3S — CID 118807327

IUPAC4-(aminomethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-sulfonamide
SMILESNCc1cc(C(F)(F)F)nc(S(N)(=O)=O)c1OC(F)(F)F
InChIInChI=1S/C8H7F6N3O3S/c9-7(10,11)4-1-3(2-15)5(20-8(12,13)14)6(17-4)21(16,18)19/h1H,2,15H2,(H2,16,18,19)
InChIKeySVRWTYHHDNPACY-UHFFFAOYSA-N
MW339.22 g/mol
LogP1.11
Rot. Bonds3

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

4-(aminomethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-sulfonamide (PubChem CID 118807327) has the molecular formula C8H7F6N3O3S and a molecular weight of 339.22 g/mol. Its IUPAC name is 4-(aminomethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-sulfonamide
PubChem CID118807327
Molecular FormulaC8H7F6N3O3S
Molecular Weight339.22 g/mol
Exact Mass339.01
IUPAC Name4-(aminomethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-sulfonamide
SMILESNCc1cc(C(F)(F)F)nc(S(N)(=O)=O)c1OC(F)(F)F
InChIInChI=1S/C8H7F6N3O3S/c9-7(10,11)4-1-3(2-15)5(20-8(12,13)14)6(17-4)21(16,18)19/h1H,2,15H2,(H2,16,18,19)
InChIKeySVRWTYHHDNPACY-UHFFFAOYSA-N
XLogP1.11
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-sulfonyl chloride
CID 134682381
4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134669918
2-[4-(aminomethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134682200
[6-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanamine
CID 134666814
4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-sulfonamide
CID 118846600
[2-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]methanol
CID 134662303
[6-bromo-2-fluoro-3-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 131571679
4-(aminomethyl)-6-methyl-3-(trifluoromethoxy)pyridin-2-amine
CID 119018318
4-(chloromethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carbaldehyde
CID 134676086
4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 118852322
4-(aminomethyl)-6-nitro-3-(trifluoromethoxy)pyridin-2-amine
CID 119009076
4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118818531

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-sulfonamide?
The IUPAC name of 4-(aminomethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-sulfonamide (CID 118807327) is 4-(aminomethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-sulfonamide is NCc1cc(C(F)(F)F)nc(S(N)(=O)=O)c1OC(F)(F)F.
What is the InChIKey of 4-(aminomethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-sulfonamide?
The InChIKey is SVRWTYHHDNPACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F6N3O3S/c9-7(10,11)4-1-3(2-15)5(20-8(12,13)14)6(17-4)21(16,18)19/h1H,2,15H2,(H2,16,18,19).
What are the key properties of 4-(aminomethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-sulfonamide?
4-(aminomethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-sulfonamide has a molecular weight of 339.22 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 118807327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).