N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)imidazo[1,2-a]pyridine-2-carboxamide

C18H17ClN4O4S — CID 5027366

IUPACN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1cn2ccccc2n1
InChIInChI=1S/C18H17ClN4O4S/c19-14-5-4-13(11-16(14)28(25,26)23-7-9-27-10-8-23)20-18(24)15-12-22-6-2-1-3-17(22)21-15/h1-6,11-12H,7-10H2,(H,20,24)
InChIKeyLVRNEFPZIVMYTL-UHFFFAOYSA-N
MW420.88 g/mol
LogP2.26
Rot. Bonds4

About N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)imidazo[1,2-a]pyridine-2-carboxamide

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 5027366) has the molecular formula C18H17ClN4O4S and a molecular weight of 420.88 g/mol. Its IUPAC name is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID5027366
Molecular FormulaC18H17ClN4O4S
Molecular Weight420.88 g/mol
Exact Mass420.07
IUPAC NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1cn2ccccc2n1
InChIInChI=1S/C18H17ClN4O4S/c19-14-5-4-13(11-16(14)28(25,26)23-7-9-27-10-8-23)20-18(24)15-12-22-6-2-1-3-17(22)21-15/h1-6,11-12H,7-10H2,(H,20,24)
InChIKeyLVRNEFPZIVMYTL-UHFFFAOYSA-N
XLogP2.26
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.88
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)imidazo[1,2-a]pyridine-2-carboxamide (CID 5027366) is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)imidazo[1,2-a]pyridine-2-carboxamide is O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1cn2ccccc2n1.
What is the InChIKey of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is LVRNEFPZIVMYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O4S/c19-14-5-4-13(11-16(14)28(25,26)23-7-9-27-10-8-23)20-18(24)15-12-22-6-2-1-3-17(22)21-15/h1-6,11-12H,7-10H2,(H,20,24).
What are the key properties of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)imidazo[1,2-a]pyridine-2-carboxamide?
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 420.88 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 5027366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).