(E)-N-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-fluorophenyl)prop-2-enamide

C16H11ClFN3O3S — CID 60602884

IUPAC(E)-N-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)NS(=O)(=O)c1c(Cl)nc2ccccn12
InChIInChI=1S/C16H11ClFN3O3S/c17-15-16(21-10-2-1-3-13(21)19-15)25(23,24)20-14(22)9-6-11-4-7-12(18)8-5-11/h1-10H,(H,20,22)/b9-6+
InChIKeyJRZAPTOJDVFEFK-RMKNXTFCSA-N
MW379.80 g/mol
LogP2.65
Rot. Bonds4

About (E)-N-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-fluorophenyl)prop-2-enamide

(E)-N-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-fluorophenyl)prop-2-enamide (PubChem CID 60602884) has the molecular formula C16H11ClFN3O3S and a molecular weight of 379.80 g/mol. Its IUPAC name is (E)-N-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-fluorophenyl)prop-2-enamide
PubChem CID60602884
Molecular FormulaC16H11ClFN3O3S
Molecular Weight379.80 g/mol
Exact Mass379.02
IUPAC Name(E)-N-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)NS(=O)(=O)c1c(Cl)nc2ccccn12
InChIInChI=1S/C16H11ClFN3O3S/c17-15-16(21-10-2-1-3-13(21)19-15)25(23,24)20-14(22)9-6-11-4-7-12(18)8-5-11/h1-10H,(H,20,22)/b9-6+
InChIKeyJRZAPTOJDVFEFK-RMKNXTFCSA-N
XLogP2.65
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.80
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-fluorophenyl)prop-2-enamide (CID 60602884) is (E)-N-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-fluorophenyl)prop-2-enamide is O=C(/C=C/c1ccc(F)cc1)NS(=O)(=O)c1c(Cl)nc2ccccn12.
What is the InChIKey of (E)-N-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-fluorophenyl)prop-2-enamide?
The InChIKey is JRZAPTOJDVFEFK-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H11ClFN3O3S/c17-15-16(21-10-2-1-3-13(21)19-15)25(23,24)20-14(22)9-6-11-4-7-12(18)8-5-11/h1-10H,(H,20,22)/b9-6+.
What are the key properties of (E)-N-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-fluorophenyl)prop-2-enamide?
(E)-N-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-fluorophenyl)prop-2-enamide has a molecular weight of 379.80 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 60602884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).