2-chloro-N-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide

C12H14ClN3O3S — CID 47298748

IUPAC2-chloro-N-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide
SMILESO=S(=O)(NCC1CCOC1)c1c(Cl)nc2ccccn12
InChIInChI=1S/C12H14ClN3O3S/c13-11-12(16-5-2-1-3-10(16)15-11)20(17,18)14-7-9-4-6-19-8-9/h1-3,5,9,14H,4,6-8H2
InChIKeyMHTVPXIMYROKJF-UHFFFAOYSA-N
MW315.78 g/mol
LogP1.30
Rot. Bonds4

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

2-chloro-N-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide (PubChem CID 47298748) has the molecular formula C12H14ClN3O3S and a molecular weight of 315.78 g/mol. Its IUPAC name is 2-chloro-N-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide
PubChem CID47298748
Molecular FormulaC12H14ClN3O3S
Molecular Weight315.78 g/mol
Exact Mass315.04
IUPAC Name2-chloro-N-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide
SMILESO=S(=O)(NCC1CCOC1)c1c(Cl)nc2ccccn12
InChIInChI=1S/C12H14ClN3O3S/c13-11-12(16-5-2-1-3-10(16)15-11)20(17,18)14-7-9-4-6-19-8-9/h1-3,5,9,14H,4,6-8H2
InChIKeyMHTVPXIMYROKJF-UHFFFAOYSA-N
XLogP1.30
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.78
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(cyclopentylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 47254422
2-chloro-N-(thian-2-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 80596561
2-chloro-N-(2-cyclopropyl-2-hydroxyethyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 63296964
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]imidazo[1,2-a]pyridine-3-sulfonamide
CID 61073000
N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 47203502
2-chloro-N-(1H-pyrrol-3-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 106384668
2-chloro-N-(2-methylbutyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 62693085
2-chloro-N-(4-methylcyclohexyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 60812790
4-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-methylmorpholine
CID 47254192
2-chloro-N-(3-ethoxypropyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 47254464
2-chloro-N-(2-methyl-2-methylsulfanylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 115663368
2-chloro-N-[3-(dimethylamino)propyl]imidazo[1,2-a]pyridine-3-sulfonamide
CID 60812797

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide (CID 47298748) is 2-chloro-N-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide is O=S(=O)(NCC1CCOC1)c1c(Cl)nc2ccccn12.
What is the InChIKey of 2-chloro-N-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide?
The InChIKey is MHTVPXIMYROKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3S/c13-11-12(16-5-2-1-3-10(16)15-11)20(17,18)14-7-9-4-6-19-8-9/h1-3,5,9,14H,4,6-8H2.
What are the key properties of 2-chloro-N-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide?
2-chloro-N-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide has a molecular weight of 315.78 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide is sourced from PubChem (CID 47298748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).