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

C13H16ClF3N4O2S — CID 75404403

IUPAC2-chloro-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]imidazo[1,2-a]pyridine-3-sulfonamide
SMILESCN(CCCNS(=O)(=O)c1c(Cl)nc2ccccn12)CC(F)(F)F
InChIInChI=1S/C13H16ClF3N4O2S/c1-20(9-13(15,16)17)7-4-6-18-24(22,23)12-11(14)19-10-5-2-3-8-21(10)12/h2-3,5,8,18H,4,6-7,9H2,1H3
InChIKeyXTMWQOPXJOWKEY-UHFFFAOYSA-N
MW384.81 g/mol
LogP2.15
Rot. Bonds7

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

2-chloro-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]imidazo[1,2-a]pyridine-3-sulfonamide (PubChem CID 75404403) has the molecular formula C13H16ClF3N4O2S and a molecular weight of 384.81 g/mol. Its IUPAC name is 2-chloro-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]imidazo[1,2-a]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]imidazo[1,2-a]pyridine-3-sulfonamide
PubChem CID75404403
Molecular FormulaC13H16ClF3N4O2S
Molecular Weight384.81 g/mol
Exact Mass384.06
IUPAC Name2-chloro-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]imidazo[1,2-a]pyridine-3-sulfonamide
SMILESCN(CCCNS(=O)(=O)c1c(Cl)nc2ccccn12)CC(F)(F)F
InChIInChI=1S/C13H16ClF3N4O2S/c1-20(9-13(15,16)17)7-4-6-18-24(22,23)12-11(14)19-10-5-2-3-8-21(10)12/h2-3,5,8,18H,4,6-7,9H2,1H3
InChIKeyXTMWQOPXJOWKEY-UHFFFAOYSA-N
XLogP2.15
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.81
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]imidazo[1,2-a]pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]imidazo[1,2-a]pyridine-3-sulfonamide (CID 75404403) is 2-chloro-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]imidazo[1,2-a]pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]imidazo[1,2-a]pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]imidazo[1,2-a]pyridine-3-sulfonamide is CN(CCCNS(=O)(=O)c1c(Cl)nc2ccccn12)CC(F)(F)F.
What is the InChIKey of 2-chloro-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]imidazo[1,2-a]pyridine-3-sulfonamide?
The InChIKey is XTMWQOPXJOWKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N4O2S/c1-20(9-13(15,16)17)7-4-6-18-24(22,23)12-11(14)19-10-5-2-3-8-21(10)12/h2-3,5,8,18H,4,6-7,9H2,1H3.
What are the key properties of 2-chloro-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]imidazo[1,2-a]pyridine-3-sulfonamide?
2-chloro-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]imidazo[1,2-a]pyridine-3-sulfonamide has a molecular weight of 384.81 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]imidazo[1,2-a]pyridine-3-sulfonamide is sourced from PubChem (CID 75404403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).