2-chloro-N-[1-(hydroxymethyl)cyclobutyl]imidazo[1,2-a]pyridine-3-sulfonamide

C12H14ClN3O3S — CID 115903043

IUPAC2-chloro-N-[1-(hydroxymethyl)cyclobutyl]imidazo[1,2-a]pyridine-3-sulfonamide
SMILESO=S(=O)(NC1(CO)CCC1)c1c(Cl)nc2ccccn12
InChIInChI=1S/C12H14ClN3O3S/c13-10-11(16-7-2-1-4-9(16)14-10)20(18,19)15-12(8-17)5-3-6-12/h1-2,4,7,15,17H,3,5-6,8H2
InChIKeyCTUDALOWKKGKPY-UHFFFAOYSA-N
MW315.78 g/mol
LogP1.18
Rot. Bonds4

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

2-chloro-N-[1-(hydroxymethyl)cyclobutyl]imidazo[1,2-a]pyridine-3-sulfonamide (PubChem CID 115903043) has the molecular formula C12H14ClN3O3S and a molecular weight of 315.78 g/mol. Its IUPAC name is 2-chloro-N-[1-(hydroxymethyl)cyclobutyl]imidazo[1,2-a]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[1-(hydroxymethyl)cyclobutyl]imidazo[1,2-a]pyridine-3-sulfonamide
PubChem CID115903043
Molecular FormulaC12H14ClN3O3S
Molecular Weight315.78 g/mol
Exact Mass315.04
IUPAC Name2-chloro-N-[1-(hydroxymethyl)cyclobutyl]imidazo[1,2-a]pyridine-3-sulfonamide
SMILESO=S(=O)(NC1(CO)CCC1)c1c(Cl)nc2ccccn12
InChIInChI=1S/C12H14ClN3O3S/c13-10-11(16-7-2-1-4-9(16)14-10)20(18,19)15-12(8-17)5-3-6-12/h1-2,4,7,15,17H,3,5-6,8H2
InChIKeyCTUDALOWKKGKPY-UHFFFAOYSA-N
XLogP1.18
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.78
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(hydroxymethyl)cyclobutyl]imidazo[1,2-a]pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-[1-(hydroxymethyl)cyclobutyl]imidazo[1,2-a]pyridine-3-sulfonamide (CID 115903043) is 2-chloro-N-[1-(hydroxymethyl)cyclobutyl]imidazo[1,2-a]pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-[1-(hydroxymethyl)cyclobutyl]imidazo[1,2-a]pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-[1-(hydroxymethyl)cyclobutyl]imidazo[1,2-a]pyridine-3-sulfonamide is O=S(=O)(NC1(CO)CCC1)c1c(Cl)nc2ccccn12.
What is the InChIKey of 2-chloro-N-[1-(hydroxymethyl)cyclobutyl]imidazo[1,2-a]pyridine-3-sulfonamide?
The InChIKey is CTUDALOWKKGKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3S/c13-10-11(16-7-2-1-4-9(16)14-10)20(18,19)15-12(8-17)5-3-6-12/h1-2,4,7,15,17H,3,5-6,8H2.
What are the key properties of 2-chloro-N-[1-(hydroxymethyl)cyclobutyl]imidazo[1,2-a]pyridine-3-sulfonamide?
2-chloro-N-[1-(hydroxymethyl)cyclobutyl]imidazo[1,2-a]pyridine-3-sulfonamide has a molecular weight of 315.78 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(hydroxymethyl)cyclobutyl]imidazo[1,2-a]pyridine-3-sulfonamide is sourced from PubChem (CID 115903043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).