3-[4-[(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylamino]phenyl]-2-methylpropanoic acid

C17H16ClN3O4S — CID 86790432

IUPAC3-[4-[(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylamino]phenyl]-2-methylpropanoic acid
SMILESCC(Cc1ccc(NS(=O)(=O)c2c(Cl)nc3ccccn23)cc1)C(=O)O
InChIInChI=1S/C17H16ClN3O4S/c1-11(17(22)23)10-12-5-7-13(8-6-12)20-26(24,25)16-15(18)19-14-4-2-3-9-21(14)16/h2-9,11,20H,10H2,1H3,(H,22,23)
InChIKeyHYJDLTLTRYSTFJ-UHFFFAOYSA-N
MW393.85 g/mol
LogP3.05
Rot. Bonds6

About 3-[4-[(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylamino]phenyl]-2-methylpropanoic acid

3-[4-[(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylamino]phenyl]-2-methylpropanoic acid (PubChem CID 86790432) has the molecular formula C17H16ClN3O4S and a molecular weight of 393.85 g/mol. Its IUPAC name is 3-[4-[(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylamino]phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[4-[(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylamino]phenyl]-2-methylpropanoic acid
PubChem CID86790432
Molecular FormulaC17H16ClN3O4S
Molecular Weight393.85 g/mol
Exact Mass393.06
IUPAC Name3-[4-[(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylamino]phenyl]-2-methylpropanoic acid
SMILESCC(Cc1ccc(NS(=O)(=O)c2c(Cl)nc3ccccn23)cc1)C(=O)O
InChIInChI=1S/C17H16ClN3O4S/c1-11(17(22)23)10-12-5-7-13(8-6-12)20-26(24,25)16-15(18)19-14-4-2-3-9-21(14)16/h2-9,11,20H,10H2,1H3,(H,22,23)
InChIKeyHYJDLTLTRYSTFJ-UHFFFAOYSA-N
XLogP3.05
TPSA100.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.85
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylamino]phenyl]-2-methylpropanoic acid?
The IUPAC name of 3-[4-[(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylamino]phenyl]-2-methylpropanoic acid (CID 86790432) is 3-[4-[(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylamino]phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[4-[(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylamino]phenyl]-2-methylpropanoic acid?
The canonical SMILES for 3-[4-[(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylamino]phenyl]-2-methylpropanoic acid is CC(Cc1ccc(NS(=O)(=O)c2c(Cl)nc3ccccn23)cc1)C(=O)O.
What is the InChIKey of 3-[4-[(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylamino]phenyl]-2-methylpropanoic acid?
The InChIKey is HYJDLTLTRYSTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O4S/c1-11(17(22)23)10-12-5-7-13(8-6-12)20-26(24,25)16-15(18)19-14-4-2-3-9-21(14)16/h2-9,11,20H,10H2,1H3,(H,22,23).
What are the key properties of 3-[4-[(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylamino]phenyl]-2-methylpropanoic acid?
3-[4-[(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylamino]phenyl]-2-methylpropanoic acid has a molecular weight of 393.85 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylamino]phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 86790432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).