6-[2-aminoethyl(2,2,2-trifluoroethyl)amino]pyridine-3-sulfonamide

C9H13F3N4O2S — CID 107494274

IUPAC6-[2-aminoethyl(2,2,2-trifluoroethyl)amino]pyridine-3-sulfonamide
SMILESNCCN(CC(F)(F)F)c1ccc(S(N)(=O)=O)cn1
InChIInChI=1S/C9H13F3N4O2S/c10-9(11,12)6-16(4-3-13)8-2-1-7(5-15-8)19(14,17)18/h1-2,5H,3-4,6,13H2,(H2,14,17,18)
InChIKeyXQUBJOSHWMXIQL-UHFFFAOYSA-N
MW298.29 g/mol
LogP0.06
Rot. Bonds5

About 6-[2-aminoethyl(2,2,2-trifluoroethyl)amino]pyridine-3-sulfonamide

6-[2-aminoethyl(2,2,2-trifluoroethyl)amino]pyridine-3-sulfonamide (PubChem CID 107494274) has the molecular formula C9H13F3N4O2S and a molecular weight of 298.29 g/mol. Its IUPAC name is 6-[2-aminoethyl(2,2,2-trifluoroethyl)amino]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[2-aminoethyl(2,2,2-trifluoroethyl)amino]pyridine-3-sulfonamide
PubChem CID107494274
Molecular FormulaC9H13F3N4O2S
Molecular Weight298.29 g/mol
Exact Mass298.07
IUPAC Name6-[2-aminoethyl(2,2,2-trifluoroethyl)amino]pyridine-3-sulfonamide
SMILESNCCN(CC(F)(F)F)c1ccc(S(N)(=O)=O)cn1
InChIInChI=1S/C9H13F3N4O2S/c10-9(11,12)6-16(4-3-13)8-2-1-7(5-15-8)19(14,17)18/h1-2,5H,3-4,6,13H2,(H2,14,17,18)
InChIKeyXQUBJOSHWMXIQL-UHFFFAOYSA-N
XLogP0.06
TPSA102.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(trifluoromethyl)pyridine-3-sulfonamide
CID 59268886
2-[(5-amino-2-pyridinyl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478357
N'-pyrimidin-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494336
N'-(5-fluoropyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494264
6-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde
CID 80638350
N'-(3-methylsulfonyl-2-pyridinyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494189
N'-(5-bromopyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494306
4-amino-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide
CID 107478271
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494164
N'-(5-fluoro-2-pyridinyl)-N'-propylethane-1,2-diamine
CID 63766650
2-[2,2,2-trifluoroethyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethanol
CID 107484538
6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
CID 170964811

Frequently Asked Questions

What is the IUPAC name of 6-[2-aminoethyl(2,2,2-trifluoroethyl)amino]pyridine-3-sulfonamide?
The IUPAC name of 6-[2-aminoethyl(2,2,2-trifluoroethyl)amino]pyridine-3-sulfonamide (CID 107494274) is 6-[2-aminoethyl(2,2,2-trifluoroethyl)amino]pyridine-3-sulfonamide.
What is the SMILES notation for 6-[2-aminoethyl(2,2,2-trifluoroethyl)amino]pyridine-3-sulfonamide?
The canonical SMILES for 6-[2-aminoethyl(2,2,2-trifluoroethyl)amino]pyridine-3-sulfonamide is NCCN(CC(F)(F)F)c1ccc(S(N)(=O)=O)cn1.
What is the InChIKey of 6-[2-aminoethyl(2,2,2-trifluoroethyl)amino]pyridine-3-sulfonamide?
The InChIKey is XQUBJOSHWMXIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O2S/c10-9(11,12)6-16(4-3-13)8-2-1-7(5-15-8)19(14,17)18/h1-2,5H,3-4,6,13H2,(H2,14,17,18).
What are the key properties of 6-[2-aminoethyl(2,2,2-trifluoroethyl)amino]pyridine-3-sulfonamide?
6-[2-aminoethyl(2,2,2-trifluoroethyl)amino]pyridine-3-sulfonamide has a molecular weight of 298.29 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-aminoethyl(2,2,2-trifluoroethyl)amino]pyridine-3-sulfonamide is sourced from PubChem (CID 107494274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).