methyl 2-[(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylamino]-3-hydroxypropanoate

C11H12ClN3O5S — CID 61052088

IUPACmethyl 2-[(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylamino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NS(=O)(=O)c1c(Cl)nc2ccccn12
InChIInChI=1S/C11H12ClN3O5S/c1-20-11(17)7(6-16)14-21(18,19)10-9(12)13-8-4-2-3-5-15(8)10/h2-5,7,14,16H,6H2,1H3
InChIKeyAOSURBNHZAYJAV-UHFFFAOYSA-N
MW333.75 g/mol
LogP-0.20
Rot. Bonds5

About methyl 2-[(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylamino]-3-hydroxypropanoate

methyl 2-[(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylamino]-3-hydroxypropanoate (PubChem CID 61052088) has the molecular formula C11H12ClN3O5S and a molecular weight of 333.75 g/mol. Its IUPAC name is methyl 2-[(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylamino]-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-[(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylamino]-3-hydroxypropanoate
PubChem CID61052088
Molecular FormulaC11H12ClN3O5S
Molecular Weight333.75 g/mol
Exact Mass333.02
IUPAC Namemethyl 2-[(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylamino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NS(=O)(=O)c1c(Cl)nc2ccccn12
InChIInChI=1S/C11H12ClN3O5S/c1-20-11(17)7(6-16)14-21(18,19)10-9(12)13-8-4-2-3-5-15(8)10/h2-5,7,14,16H,6H2,1H3
InChIKeyAOSURBNHZAYJAV-UHFFFAOYSA-N
XLogP-0.20
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.75
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-N-(1-hydroxybutan-2-yl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 61052467
2-chloro-N-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridine-3-sulfonamide
CID 113351338
2-chloro-N-[1-(hydroxymethyl)cyclobutyl]imidazo[1,2-a]pyridine-3-sulfonamide
CID 115903043
2-chloro-N-[1-(furan-2-yl)ethyl]imidazo[1,2-a]pyridine-3-sulfonamide
CID 60814816
3-[4-[(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylamino]phenyl]-2-methylpropanoic acid
CID 86790432
2-chloro-N-(2-methylbutyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 62693085
2-chloro-N-(2-cyclopropyl-2-hydroxyethyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 63296964
2-chloroimidazo[1,2-a]pyridine-3-sulfonamide
CID 14422354
2-chloro-N-[2-(dimethylamino)propyl]imidazo[1,2-a]pyridine-3-sulfonamide
CID 61045081
2-chloro-N-(2-hydroxy-2-methylbutyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 65107393
2-chloro-N-(cyclopentylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 47254422
2-chloro-N-(3-ethoxypropyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 47254464

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylamino]-3-hydroxypropanoate?
The IUPAC name of methyl 2-[(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylamino]-3-hydroxypropanoate (CID 61052088) is methyl 2-[(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylamino]-3-hydroxypropanoate.
What is the SMILES notation for methyl 2-[(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylamino]-3-hydroxypropanoate?
The canonical SMILES for methyl 2-[(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylamino]-3-hydroxypropanoate is COC(=O)C(CO)NS(=O)(=O)c1c(Cl)nc2ccccn12.
What is the InChIKey of methyl 2-[(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylamino]-3-hydroxypropanoate?
The InChIKey is AOSURBNHZAYJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O5S/c1-20-11(17)7(6-16)14-21(18,19)10-9(12)13-8-4-2-3-5-15(8)10/h2-5,7,14,16H,6H2,1H3.
What are the key properties of methyl 2-[(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylamino]-3-hydroxypropanoate?
methyl 2-[(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylamino]-3-hydroxypropanoate has a molecular weight of 333.75 g/mol, XLogP of -0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylamino]-3-hydroxypropanoate is sourced from PubChem (CID 61052088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).