2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-3-sulfonamide

C10H12F3N5O2S — CID 60890456

IUPAC2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-3-sulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)c1c(NN)nc2ccccn12
InChIInChI=1S/C10H12F3N5O2S/c1-17(6-10(11,12)13)21(19,20)9-8(16-14)15-7-4-2-3-5-18(7)9/h2-5,16H,6,14H2,1H3
InChIKeyKGJLQQYNZCLECR-UHFFFAOYSA-N
MW323.30 g/mol
LogP0.80
Rot. Bonds4

About 2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-3-sulfonamide

2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-3-sulfonamide (PubChem CID 60890456) has the molecular formula C10H12F3N5O2S and a molecular weight of 323.30 g/mol. Its IUPAC name is 2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-3-sulfonamide
PubChem CID60890456
Molecular FormulaC10H12F3N5O2S
Molecular Weight323.30 g/mol
Exact Mass323.07
IUPAC Name2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-3-sulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)c1c(NN)nc2ccccn12
InChIInChI=1S/C10H12F3N5O2S/c1-17(6-10(11,12)13)21(19,20)9-8(16-14)15-7-4-2-3-5-18(7)9/h2-5,16H,6,14H2,1H3
InChIKeyKGJLQQYNZCLECR-UHFFFAOYSA-N
XLogP0.80
TPSA92.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-3-sulfonamide?
The IUPAC name of 2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-3-sulfonamide (CID 60890456) is 2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-3-sulfonamide.
What is the SMILES notation for 2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-3-sulfonamide?
The canonical SMILES for 2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-3-sulfonamide is CN(CC(F)(F)F)S(=O)(=O)c1c(NN)nc2ccccn12.
What is the InChIKey of 2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-3-sulfonamide?
The InChIKey is KGJLQQYNZCLECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5O2S/c1-17(6-10(11,12)13)21(19,20)9-8(16-14)15-7-4-2-3-5-18(7)9/h2-5,16H,6,14H2,1H3.
What are the key properties of 2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-3-sulfonamide?
2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-3-sulfonamide has a molecular weight of 323.30 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-3-sulfonamide is sourced from PubChem (CID 60890456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).