2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyridine-3-sulfonamide

C10H11F3N4O2S2 — CID 106432805

IUPAC2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyridine-3-sulfonamide
SMILESNc1nc2ccccn2c1S(=O)(=O)NCCSC(F)(F)F
InChIInChI=1S/C10H11F3N4O2S2/c11-10(12,13)20-6-4-15-21(18,19)9-8(14)16-7-3-1-2-5-17(7)9/h1-3,5,15H,4,6,14H2
InChIKeyKPSZJECCRIRRJQ-UHFFFAOYSA-N
MW340.35 g/mol
LogP1.45
Rot. Bonds5

About 2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyridine-3-sulfonamide

2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyridine-3-sulfonamide (PubChem CID 106432805) has the molecular formula C10H11F3N4O2S2 and a molecular weight of 340.35 g/mol. Its IUPAC name is 2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyridine-3-sulfonamide
PubChem CID106432805
Molecular FormulaC10H11F3N4O2S2
Molecular Weight340.35 g/mol
Exact Mass340.03
IUPAC Name2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyridine-3-sulfonamide
SMILESNc1nc2ccccn2c1S(=O)(=O)NCCSC(F)(F)F
InChIInChI=1S/C10H11F3N4O2S2/c11-10(12,13)20-6-4-15-21(18,19)9-8(14)16-7-3-1-2-5-17(7)9/h1-3,5,15H,4,6,14H2
InChIKeyKPSZJECCRIRRJQ-UHFFFAOYSA-N
XLogP1.45
TPSA89.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 63227563
2-amino-N-[2-(methylsulfamoyl)ethyl]imidazo[1,2-a]pyridine-3-sulfonamide
CID 106342252
2-amino-N-(2-propan-2-yloxyethyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 104765403
2-amino-N-(2,2-dimethylbutyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 103464434
2-amino-N-(2-ethoxy-2-methylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 114944054
2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-3-sulfonamide
CID 64526155
2-amino-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 63244564
2-amino-N-(1,3-thiazol-2-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 62158449
2-amino-N-(3-methoxy-2-methylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 62156679
2-amino-N-pyrimidin-5-ylimidazo[1,2-a]pyridine-3-sulfonamide
CID 107589877
2-amino-N-(2-methylphenyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 62145093
2-amino-N-(3-methylpentan-2-yl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 62159104

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyridine-3-sulfonamide?
The IUPAC name of 2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyridine-3-sulfonamide (CID 106432805) is 2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyridine-3-sulfonamide is Nc1nc2ccccn2c1S(=O)(=O)NCCSC(F)(F)F.
What is the InChIKey of 2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyridine-3-sulfonamide?
The InChIKey is KPSZJECCRIRRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O2S2/c11-10(12,13)20-6-4-15-21(18,19)9-8(14)16-7-3-1-2-5-17(7)9/h1-3,5,15H,4,6,14H2.
What are the key properties of 2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyridine-3-sulfonamide?
2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyridine-3-sulfonamide has a molecular weight of 340.35 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyridine-3-sulfonamide is sourced from PubChem (CID 106432805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).