N-[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)ethyl]butane-1-sulfonamide

C13H18ClN3O2S — CID 110672034

IUPACN-[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C13H18ClN3O2S/c1-2-3-8-20(18,19)15-7-6-12-10-17-9-11(14)4-5-13(17)16-12/h4-5,9-10,15H,2-3,6-8H2,1H3
InChIKeyBLVMPXKAWLHOCN-UHFFFAOYSA-N
MW315.83 g/mol
LogP2.25
Rot. Bonds7

About N-[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)ethyl]butane-1-sulfonamide

N-[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)ethyl]butane-1-sulfonamide (PubChem CID 110672034) has the molecular formula C13H18ClN3O2S and a molecular weight of 315.83 g/mol. Its IUPAC name is N-[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)ethyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)ethyl]butane-1-sulfonamide
PubChem CID110672034
Molecular FormulaC13H18ClN3O2S
Molecular Weight315.83 g/mol
Exact Mass315.08
IUPAC NameN-[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C13H18ClN3O2S/c1-2-3-8-20(18,19)15-7-6-12-10-17-9-11(14)4-5-13(17)16-12/h4-5,9-10,15H,2-3,6-8H2,1H3
InChIKeyBLVMPXKAWLHOCN-UHFFFAOYSA-N
XLogP2.25
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.83
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)ethyl]butane-1-sulfonamide?
The IUPAC name of N-[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)ethyl]butane-1-sulfonamide (CID 110672034) is N-[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)ethyl]butane-1-sulfonamide.
What is the SMILES notation for N-[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)ethyl]butane-1-sulfonamide?
The canonical SMILES for N-[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)ethyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCCc1cn2cc(Cl)ccc2n1.
What is the InChIKey of N-[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)ethyl]butane-1-sulfonamide?
The InChIKey is BLVMPXKAWLHOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2S/c1-2-3-8-20(18,19)15-7-6-12-10-17-9-11(14)4-5-13(17)16-12/h4-5,9-10,15H,2-3,6-8H2,1H3.
What are the key properties of N-[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)ethyl]butane-1-sulfonamide?
N-[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)ethyl]butane-1-sulfonamide has a molecular weight of 315.83 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)ethyl]butane-1-sulfonamide is sourced from PubChem (CID 110672034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).