2-chloro-N-(2-cyclopropyl-2-hydroxyethyl)imidazo[1,2-a]pyridine-3-sulfonamide

C12H14ClN3O3S — CID 63296964

IUPAC2-chloro-N-(2-cyclopropyl-2-hydroxyethyl)imidazo[1,2-a]pyridine-3-sulfonamide
SMILESO=S(=O)(NCC(O)C1CC1)c1c(Cl)nc2ccccn12
InChIInChI=1S/C12H14ClN3O3S/c13-11-12(16-6-2-1-3-10(16)15-11)20(18,19)14-7-9(17)8-4-5-8/h1-3,6,8-9,14,17H,4-5,7H2
InChIKeyFKRVFZOISHPVHJ-UHFFFAOYSA-N
MW315.78 g/mol
LogP1.04
Rot. Bonds5

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

2-chloro-N-(2-cyclopropyl-2-hydroxyethyl)imidazo[1,2-a]pyridine-3-sulfonamide (PubChem CID 63296964) has the molecular formula C12H14ClN3O3S and a molecular weight of 315.78 g/mol. Its IUPAC name is 2-chloro-N-(2-cyclopropyl-2-hydroxyethyl)imidazo[1,2-a]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-cyclopropyl-2-hydroxyethyl)imidazo[1,2-a]pyridine-3-sulfonamide
PubChem CID63296964
Molecular FormulaC12H14ClN3O3S
Molecular Weight315.78 g/mol
Exact Mass315.04
IUPAC Name2-chloro-N-(2-cyclopropyl-2-hydroxyethyl)imidazo[1,2-a]pyridine-3-sulfonamide
SMILESO=S(=O)(NCC(O)C1CC1)c1c(Cl)nc2ccccn12
InChIInChI=1S/C12H14ClN3O3S/c13-11-12(16-6-2-1-3-10(16)15-11)20(18,19)14-7-9(17)8-4-5-8/h1-3,6,8-9,14,17H,4-5,7H2
InChIKeyFKRVFZOISHPVHJ-UHFFFAOYSA-N
XLogP1.04
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.78
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Chloroimidazo[1,2-a]pyridine-3-sulfonamide
CID 14422354
2-Chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 14422453
2-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyridine-3-sulfonamide
CID 51121172
2-chloro-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 60813963
2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 60892339
2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 61060335
2-chloro-N-methyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 61384492
2-chloro-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 63226997
2-chloro-N-(5-fluoro-2-pyridinyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 63903849
2-chloro-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]imidazo[1,2-a]pyridine-3-sulfonamide
CID 75404403
2-chloro-N-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 79037416
2-chloro-N-(2,2-difluoroethyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 79089688

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyclopropyl-2-hydroxyethyl)imidazo[1,2-a]pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(2-cyclopropyl-2-hydroxyethyl)imidazo[1,2-a]pyridine-3-sulfonamide (CID 63296964) is 2-chloro-N-(2-cyclopropyl-2-hydroxyethyl)imidazo[1,2-a]pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2-cyclopropyl-2-hydroxyethyl)imidazo[1,2-a]pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(2-cyclopropyl-2-hydroxyethyl)imidazo[1,2-a]pyridine-3-sulfonamide is O=S(=O)(NCC(O)C1CC1)c1c(Cl)nc2ccccn12.
What is the InChIKey of 2-chloro-N-(2-cyclopropyl-2-hydroxyethyl)imidazo[1,2-a]pyridine-3-sulfonamide?
The InChIKey is FKRVFZOISHPVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3S/c13-11-12(16-6-2-1-3-10(16)15-11)20(18,19)14-7-9(17)8-4-5-8/h1-3,6,8-9,14,17H,4-5,7H2.
What are the key properties of 2-chloro-N-(2-cyclopropyl-2-hydroxyethyl)imidazo[1,2-a]pyridine-3-sulfonamide?
2-chloro-N-(2-cyclopropyl-2-hydroxyethyl)imidazo[1,2-a]pyridine-3-sulfonamide has a molecular weight of 315.78 g/mol, XLogP of 1.04, 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-cyclopropyl-2-hydroxyethyl)imidazo[1,2-a]pyridine-3-sulfonamide is sourced from PubChem (CID 63296964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).