N-(3-bromoimidazo[1,2-a]pyridin-6-yl)butane-1-sulfonamide

C11H14BrN3O2S — CID 115268819

IUPACN-(3-bromoimidazo[1,2-a]pyridin-6-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc2ncc(Br)n2c1
InChIInChI=1S/C11H14BrN3O2S/c1-2-3-6-18(16,17)14-9-4-5-11-13-7-10(12)15(11)8-9/h4-5,7-8,14H,2-3,6H2,1H3
InChIKeyNPEOMSHVRPOPPI-UHFFFAOYSA-N
MW332.22 g/mol
LogP2.64
Rot. Bonds5

About N-(3-bromoimidazo[1,2-a]pyridin-6-yl)butane-1-sulfonamide

N-(3-bromoimidazo[1,2-a]pyridin-6-yl)butane-1-sulfonamide (PubChem CID 115268819) has the molecular formula C11H14BrN3O2S and a molecular weight of 332.22 g/mol. Its IUPAC name is N-(3-bromoimidazo[1,2-a]pyridin-6-yl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-bromoimidazo[1,2-a]pyridin-6-yl)butane-1-sulfonamide
PubChem CID115268819
Molecular FormulaC11H14BrN3O2S
Molecular Weight332.22 g/mol
Exact Mass331.00
IUPAC NameN-(3-bromoimidazo[1,2-a]pyridin-6-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc2ncc(Br)n2c1
InChIInChI=1S/C11H14BrN3O2S/c1-2-3-6-18(16,17)14-9-4-5-11-13-7-10(12)15(11)8-9/h4-5,7-8,14H,2-3,6H2,1H3
InChIKeyNPEOMSHVRPOPPI-UHFFFAOYSA-N
XLogP2.64
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.22
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromoimidazo[1,2-a]pyridin-6-yl)butane-1-sulfonamide?
The IUPAC name of N-(3-bromoimidazo[1,2-a]pyridin-6-yl)butane-1-sulfonamide (CID 115268819) is N-(3-bromoimidazo[1,2-a]pyridin-6-yl)butane-1-sulfonamide.
What is the SMILES notation for N-(3-bromoimidazo[1,2-a]pyridin-6-yl)butane-1-sulfonamide?
The canonical SMILES for N-(3-bromoimidazo[1,2-a]pyridin-6-yl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc2ncc(Br)n2c1.
What is the InChIKey of N-(3-bromoimidazo[1,2-a]pyridin-6-yl)butane-1-sulfonamide?
The InChIKey is NPEOMSHVRPOPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2S/c1-2-3-6-18(16,17)14-9-4-5-11-13-7-10(12)15(11)8-9/h4-5,7-8,14H,2-3,6H2,1H3.
What are the key properties of N-(3-bromoimidazo[1,2-a]pyridin-6-yl)butane-1-sulfonamide?
N-(3-bromoimidazo[1,2-a]pyridin-6-yl)butane-1-sulfonamide has a molecular weight of 332.22 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromoimidazo[1,2-a]pyridin-6-yl)butane-1-sulfonamide is sourced from PubChem (CID 115268819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).