2-chloro-N-(2-hydroxy-2-methylbutyl)imidazo[1,2-a]pyridine-3-sulfonamide

C12H16ClN3O3S — CID 65107393

IUPAC2-chloro-N-(2-hydroxy-2-methylbutyl)imidazo[1,2-a]pyridine-3-sulfonamide
SMILESCCC(C)(O)CNS(=O)(=O)c1c(Cl)nc2ccccn12
InChIInChI=1S/C12H16ClN3O3S/c1-3-12(2,17)8-14-20(18,19)11-10(13)15-9-6-4-5-7-16(9)11/h4-7,14,17H,3,8H2,1-2H3
InChIKeyHASNOXYWOYWZND-UHFFFAOYSA-N
MW317.80 g/mol
LogP1.43
Rot. Bonds5

About 2-chloro-N-(2-hydroxy-2-methylbutyl)imidazo[1,2-a]pyridine-3-sulfonamide

2-chloro-N-(2-hydroxy-2-methylbutyl)imidazo[1,2-a]pyridine-3-sulfonamide (PubChem CID 65107393) has the molecular formula C12H16ClN3O3S and a molecular weight of 317.80 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxy-2-methylbutyl)imidazo[1,2-a]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxy-2-methylbutyl)imidazo[1,2-a]pyridine-3-sulfonamide
PubChem CID65107393
Molecular FormulaC12H16ClN3O3S
Molecular Weight317.80 g/mol
Exact Mass317.06
IUPAC Name2-chloro-N-(2-hydroxy-2-methylbutyl)imidazo[1,2-a]pyridine-3-sulfonamide
SMILESCCC(C)(O)CNS(=O)(=O)c1c(Cl)nc2ccccn12
InChIInChI=1S/C12H16ClN3O3S/c1-3-12(2,17)8-14-20(18,19)11-10(13)15-9-6-4-5-7-16(9)11/h4-7,14,17H,3,8H2,1-2H3
InChIKeyHASNOXYWOYWZND-UHFFFAOYSA-N
XLogP1.43
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxy-2-methylbutyl)imidazo[1,2-a]pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(2-hydroxy-2-methylbutyl)imidazo[1,2-a]pyridine-3-sulfonamide (CID 65107393) is 2-chloro-N-(2-hydroxy-2-methylbutyl)imidazo[1,2-a]pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxy-2-methylbutyl)imidazo[1,2-a]pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(2-hydroxy-2-methylbutyl)imidazo[1,2-a]pyridine-3-sulfonamide is CCC(C)(O)CNS(=O)(=O)c1c(Cl)nc2ccccn12.
What is the InChIKey of 2-chloro-N-(2-hydroxy-2-methylbutyl)imidazo[1,2-a]pyridine-3-sulfonamide?
The InChIKey is HASNOXYWOYWZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3S/c1-3-12(2,17)8-14-20(18,19)11-10(13)15-9-6-4-5-7-16(9)11/h4-7,14,17H,3,8H2,1-2H3.
What are the key properties of 2-chloro-N-(2-hydroxy-2-methylbutyl)imidazo[1,2-a]pyridine-3-sulfonamide?
2-chloro-N-(2-hydroxy-2-methylbutyl)imidazo[1,2-a]pyridine-3-sulfonamide has a molecular weight of 317.80 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-hydroxy-2-methylbutyl)imidazo[1,2-a]pyridine-3-sulfonamide is sourced from PubChem (CID 65107393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).