6-amino-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide

C8H10F3N3O2S2 — CID 114187255

IUPAC6-amino-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide
SMILESNc1ccc(S(=O)(=O)NCCSC(F)(F)F)cn1
InChIInChI=1S/C8H10F3N3O2S2/c9-8(10,11)17-4-3-14-18(15,16)6-1-2-7(12)13-5-6/h1-2,5,14H,3-4H2,(H2,12,13)
InChIKeyPYOPBMRAQBIXDR-UHFFFAOYSA-N
MW301.32 g/mol
LogP1.20
Rot. Bonds5

About 6-amino-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide

6-amino-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide (PubChem CID 114187255) has the molecular formula C8H10F3N3O2S2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 6-amino-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide
PubChem CID114187255
Molecular FormulaC8H10F3N3O2S2
Molecular Weight301.32 g/mol
Exact Mass301.02
IUPAC Name6-amino-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide
SMILESNc1ccc(S(=O)(=O)NCCSC(F)(F)F)cn1
InChIInChI=1S/C8H10F3N3O2S2/c9-8(10,11)17-4-3-14-18(15,16)6-1-2-7(12)13-5-6/h1-2,5,14H,3-4H2,(H2,12,13)
InChIKeyPYOPBMRAQBIXDR-UHFFFAOYSA-N
XLogP1.20
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 75406437
6-amino-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
CID 63963985
6-(propylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide
CID 106432842
4-(aminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106430233
5,6-dichloro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide
CID 113239619
5-chloro-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide
CID 106429802
4-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106430253
3-bromo-4-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106432524
2-amino-4-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106425720
3-(aminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106433696
6-amino-N-(3-ethoxypropyl)pyridine-3-sulfonamide
CID 62144216
5-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106433688

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 6-amino-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide (CID 114187255) is 6-amino-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-amino-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide is Nc1ccc(S(=O)(=O)NCCSC(F)(F)F)cn1.
What is the InChIKey of 6-amino-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide?
The InChIKey is PYOPBMRAQBIXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2S2/c9-8(10,11)17-4-3-14-18(15,16)6-1-2-7(12)13-5-6/h1-2,5,14H,3-4H2,(H2,12,13).
What are the key properties of 6-amino-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide?
6-amino-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide has a molecular weight of 301.32 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 114187255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).