(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl 2-[(4-methylphenyl)sulfonylamino]propanoate

C18H17Cl2N3O4S — CID 86877086

IUPAC(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl 2-[(4-methylphenyl)sulfonylamino]propanoate
SMILESCc1ccc(S(=O)(=O)NC(C)C(=O)OCc2cn3cc(Cl)cc(Cl)c3n2)cc1
InChIInChI=1S/C18H17Cl2N3O4S/c1-11-3-5-15(6-4-11)28(25,26)22-12(2)18(24)27-10-14-9-23-8-13(19)7-16(20)17(23)21-14/h3-9,12,22H,10H2,1-2H3
InChIKeyORTYQOYHTXBAGS-UHFFFAOYSA-N
MW442.32 g/mol
LogP3.36
Rot. Bonds6

About (6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl 2-[(4-methylphenyl)sulfonylamino]propanoate

(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl 2-[(4-methylphenyl)sulfonylamino]propanoate (PubChem CID 86877086) has the molecular formula C18H17Cl2N3O4S and a molecular weight of 442.32 g/mol. Its IUPAC name is (6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl 2-[(4-methylphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl 2-[(4-methylphenyl)sulfonylamino]propanoate
PubChem CID86877086
Molecular FormulaC18H17Cl2N3O4S
Molecular Weight442.32 g/mol
Exact Mass441.03
IUPAC Name(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl 2-[(4-methylphenyl)sulfonylamino]propanoate
SMILESCc1ccc(S(=O)(=O)NC(C)C(=O)OCc2cn3cc(Cl)cc(Cl)c3n2)cc1
InChIInChI=1S/C18H17Cl2N3O4S/c1-11-3-5-15(6-4-11)28(25,26)22-12(2)18(24)27-10-14-9-23-8-13(19)7-16(20)17(23)21-14/h3-9,12,22H,10H2,1-2H3
InChIKeyORTYQOYHTXBAGS-UHFFFAOYSA-N
XLogP3.36
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl 2-[(4-methylphenyl)sulfonylamino]propanoate?
The IUPAC name of (6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl 2-[(4-methylphenyl)sulfonylamino]propanoate (CID 86877086) is (6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl 2-[(4-methylphenyl)sulfonylamino]propanoate.
What is the SMILES notation for (6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl 2-[(4-methylphenyl)sulfonylamino]propanoate?
The canonical SMILES for (6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl 2-[(4-methylphenyl)sulfonylamino]propanoate is Cc1ccc(S(=O)(=O)NC(C)C(=O)OCc2cn3cc(Cl)cc(Cl)c3n2)cc1.
What is the InChIKey of (6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl 2-[(4-methylphenyl)sulfonylamino]propanoate?
The InChIKey is ORTYQOYHTXBAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O4S/c1-11-3-5-15(6-4-11)28(25,26)22-12(2)18(24)27-10-14-9-23-8-13(19)7-16(20)17(23)21-14/h3-9,12,22H,10H2,1-2H3.
What are the key properties of (6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl 2-[(4-methylphenyl)sulfonylamino]propanoate?
(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl 2-[(4-methylphenyl)sulfonylamino]propanoate has a molecular weight of 442.32 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl 2-[(4-methylphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 86877086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).